Geometry & MOs

Info

ID:

116731

PubChem CID:

50573164

Reduced:

Cl2O4N5C31H41 (1)

Stoich.:

A2B4C5D31E41 (1)

Weight, g/mol:

682.324561

ΔHf, kcal/mol:

-207.99

Dipole, Da:

7.59

IP(EA), eV:

 -8.66(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[3-methyl-1-[3-(morpholine-4-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations