Geometry & MOs

Info

ID:

117134

PubChem CID:

50591995

Reduced:

ClN5O5C37H44 (1)

Stoich.:

AB5C5D37E44 (1)

Weight, g/mol:

704.308911

ΔHf, kcal/mol:

-190.29

Dipole, Da:

3.06

IP(EA), eV:

 -8.14(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5)OC

DOS

IR

Vibrations