Geometry & MOs

Info

ID:

95679

PubChem CID:

50012069

Reduced:

O5N6C35H42 (1)

Stoich.:

A5B6C35D42 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-171.49

Dipole, Da:

8.3

IP(EA), eV:

 -8.81(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations