Geometry & MOs

Info

ID:

115541

PubChem CID:

50526632

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-181.89

Dipole, Da:

11.85

IP(EA), eV:

 -8.62(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-benzamido-4-methylanilino)-3-oxopropyl]-1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N)C

DOS

IR

Vibrations