Geometry & MOs

Info

ID:

107681

PubChem CID:

50214652

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

556.220096

ΔHf, kcal/mol:

-155.26

Dipole, Da:

4.61

IP(EA), eV:

 -8.96(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations