Geometry & MOs

Info

ID:

170570

PubChem CID:

75253918

Reduced:

O12N17C59H83 (1)

Stoich.:

A12B17C59D83 (1)

Weight, g/mol:

518.233621

ΔHf, kcal/mol:

-481.79

Dipole, Da:

6.35

IP(EA), eV:

 -8.73(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

phenyl 2-amino-3-[4-(3-cyclohexyl-6,7-dimethyl-2-oxo-1H-indol-3-yl)phenyl]propanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CCC(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations