Geometry & MOs

Info

ID:

108822

PubChem CID:

50260520

Reduced:

N5O5C34H41 (1)

Stoich.:

A5B5C34D41 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-173.72

Dipole, Da:

9.28

IP(EA), eV:

 -8.51(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations