Geometry & MOs

Info

ID:

94489

PubChem CID:

50001982

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-198.31

Dipole, Da:

5.96

IP(EA), eV:

 -8.32(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[3-chloro-4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC(=C4)C)Cl

DOS

IR

Vibrations