Geometry & MOs

Info

ID:

94400

PubChem CID:

50000764

Reduced:

BrO3N4C26H33 (1)

Stoich.:

AB3C4D26E33 (1)

Weight, g/mol:

750.410483

ΔHf, kcal/mol:

-109.17

Dipole, Da:

3.01

IP(EA), eV:

 -8.99(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-methoxybenzoyl)amino]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=C(C=C3)Br

DOS

IR

Vibrations