Geometry & MOs

Info

ID:	391904
PubChem CID:	135010773
Reduced:	NO3C13H13 (2)
Stoich.:	AB3C13D13 (2)
Weight, g/mol:	602.324354
ΔH_f, kcal/mol:	-122.09
Dipole, Da:	4.22
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,7S,9S,10E,12E,14R,15R)-9-[(4-methoxyphenyl)methoxy]-10,14-dimethyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)C1([C@H]([C@@H]([C@H](N1)C2=CC3=CC=CC=C3C=C2)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OCC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)C1([C@H]([C@@H]([C@H](N1)C2=CC3=CC=CC=C3C=C2)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):