Geometry & MOs

Info

ID:

105142

PubChem CID:

50106476

Reduced:

O5N6C31H42 (1)

Stoich.:

A5B6C31D42 (1)

Weight, g/mol:

556.220096

ΔHf, kcal/mol:

-221.48

Dipole, Da:

12.61

IP(EA), eV:

 -8.61(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-acetamido-2-chloroanilino)-1-oxopropan-2-yl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)C

DOS

IR

Vibrations