Geometry & MOs

Info

ID:

95241

PubChem CID:

50007425

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-221.44

Dipole, Da:

9.94

IP(EA), eV:

 -8.9(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(3-chlorobenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations