Geometry & MOs

Info

ID:

106826

PubChem CID:

50178178

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

688.277611

ΔHf, kcal/mol:

-229.67

Dipole, Da:

9.03

IP(EA), eV:

 -8.83(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)NC5CCCCC5

DOS

IR

Vibrations