Geometry & MOs

Info

ID:

117012

PubChem CID:

50584698

Reduced:

ClF2O5N6C38H43 (1)

Stoich.:

AB2C5D6E38F43 (1)

Weight, g/mol:

734.275024

ΔHf, kcal/mol:

-277.12

Dipole, Da:

9.59

IP(EA), eV:

 -8.86(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-chloro-5-[(4-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)F)Cl

DOS

IR

Vibrations