Geometry & MOs

Info

ID:

104707

PubChem CID:

50104927

Reduced:

O4N5C30H41 (1)

Stoich.:

A4B5C30D41 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-179.69

Dipole, Da:

5.12

IP(EA), eV:

 -8.37(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-chlorobenzoyl)amino]-3-methylphenyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C)C

DOS

IR

Vibrations