Geometry & MOs

Info

ID:

95083

PubChem CID:

50006183

Reduced:

FO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-217.26

Dipole, Da:

3.26

IP(EA), eV:

 -8.93(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations