Geometry & MOs

Info

ID:

220074

PubChem CID:

85165212

Reduced:

N3O7C37H47 (1)

Stoich.:

A3B7C37D47 (1)

Weight, g/mol:

644.14011

ΔHf, kcal/mol:

-305.01

Dipole, Da:

6.69

IP(EA), eV:

 -9.86(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]carbamoyl]cyclohexyl]methylazanium;chloride

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(=O)OCC4=CC=CC=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations