Geometry & MOs

Info

ID:

110816

PubChem CID:

50340783

Reduced:

SO4N5C32H43 (1)

Stoich.:

AB4C5D32E43 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-158.69

Dipole, Da:

8.06

IP(EA), eV:

 -8.3(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=CC=C4)SC)C(=O)NCC(C)C

DOS

IR

Vibrations