Geometry & MOs

Info

ID:	417705
PubChem CID:	135102528
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	500.263485
ΔH_f, kcal/mol:	-144.66
Dipole, Da:	3.04
IP(EA), eV:	-9.06(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

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

CC1=C(C=C(C=C1)CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O)C

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

CC1=C(C=C(C=C1)CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):