Geometry & MOs

Info

ID:

110832

PubChem CID:

50341194

Reduced:

O5N6C39H50 (1)

Stoich.:

A5B6C39D50 (1)

Weight, g/mol:

682.347883

ΔHf, kcal/mol:

-200.77

Dipole, Da:

3.75

IP(EA), eV:

 -8.24(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations