Geometry & MOs

Info

ID:

97730

PubChem CID:

50034241

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

632.251396

ΔHf, kcal/mol:

-190.04

Dipole, Da:

3.97

IP(EA), eV:

 -8.8(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C)Cl

DOS

IR

Vibrations