Geometry & MOs

Info

ID:

120281

PubChem CID:

50721000

Reduced:

ClN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-170.95

Dipole, Da:

5.28

IP(EA), eV:

 -8.78(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[2-[3-methyl-4-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC=C1OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations