Geometry & MOs

Info

ID:

94408

PubChem CID:

50000815

Reduced:

O3N4C27H36 (1)

Stoich.:

A3B4C27D36 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-127.86

Dipole, Da:

3.3

IP(EA), eV:

 -8.79(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C

DOS

IR

Vibrations