Geometry & MOs

Info

ID:

106963

PubChem CID:

50183101

Reduced:

O4N5C31H41 (1)

Stoich.:

A4B5C31D41 (1)

Weight, g/mol:

612.246311

ΔHf, kcal/mol:

-166.73

Dipole, Da:

7.96

IP(EA), eV:

 -8.42(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-chloroanilino)-3-oxopropyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C)C)C

DOS

IR

Vibrations