Geometry & MOs

Info

ID:

107541

PubChem CID:

50207956

Reduced:

O4N5C37H53 (1)

Stoich.:

A4B5C37D53 (1)

Weight, g/mol:

617.394105

ΔHf, kcal/mol:

-198.21

Dipole, Da:

7.59

IP(EA), eV:

 -8.84(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-(3-methylanilino)-1-oxobutan-2-yl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations