Geometry & MOs

Info

ID:

110148

PubChem CID:

50313647

Reduced:

N6O6C35H42 (1)

Stoich.:

A6B6C35D42 (1)

Weight, g/mol:

642.316583

ΔHf, kcal/mol:

-216.49

Dipole, Da:

5.96

IP(EA), eV:

 -8.36(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[3-[4-[(2-methoxybenzoyl)amino]-3-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations