Geometry & MOs

Info

ID:

119134

PubChem CID:

50670953

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

684.259374

ΔHf, kcal/mol:

-175.99

Dipole, Da:

7.19

IP(EA), eV:

 -8.77(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-4-chlorophenyl)-1-[1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations