Geometry & MOs

Info

ID:

107638

PubChem CID:

50212404

Reduced:

BrO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-163.92

Dipole, Da:

3.21

IP(EA), eV:

 -9.01(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC)C)C)Br

DOS

IR

Vibrations