Geometry & MOs

Info

ID:

106914

PubChem CID:

50181141

Reduced:

O4N5C30H39 (1)

Stoich.:

A4B5C30D39 (1)

Weight, g/mol:

639.34207

ΔHf, kcal/mol:

-160.82

Dipole, Da:

4.03

IP(EA), eV:

 -8.79(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-[(2-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C)C

DOS

IR

Vibrations