Geometry & MOs

Info

ID:	423809
PubChem CID:	135120316
Reduced:	ClN2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	740.389748
ΔH_f, kcal/mol:	-86.16
Dipole, Da:	7.3
IP(EA), eV:	-9.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-5-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]-23-methoxy-13-(3-pyridin-3-ylpropanoyl)-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-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

COC1=C(C=C(C=C1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)Cl

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

COC1=C(C=C(C=C1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):