Geometry & MOs

Info

ID:

113823

PubChem CID:

50459775

Reduced:

N5O5C34H41 (1)

Stoich.:

A5B5C34D41 (1)

Weight, g/mol:

585.295119

ΔHf, kcal/mol:

-175.08

Dipole, Da:

5.99

IP(EA), eV:

 -8.19(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-(propanoylamino)phenyl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C(C)C)OC)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations