Geometry & MOs

Info

ID:

106000

PubChem CID:

50145809

Reduced:

O5N6C37H46 (1)

Stoich.:

A5B6C37D46 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-192.53

Dipole, Da:

4.66

IP(EA), eV:

 -8.3(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations