Geometry & MOs

Info

ID:

54016

PubChem CID:

14719524

Reduced:

ClNO6C29H32 (1)

Stoich.:

ABC6D29E32 (1)

Weight, g/mol:

656.265315

ΔHf, kcal/mol:

-221.15

Dipole, Da:

2.44

IP(EA), eV:

 -8.85(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 9-chloro-7-(ethylcarbamoyloxy)-8-phenylmethoxy-5-(4-phenylmethoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)O)O)OCC4=CC=C(C=C4)OC)Cl

DOS

IR

Vibrations