Geometry & MOs

Info

ID:

94403

PubChem CID:

50000791

Reduced:

O3N4C28H38 (1)

Stoich.:

A3B4C28D38 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-126.64

Dipole, Da:

10.01

IP(EA), eV:

 -8.78(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-fluorophenyl)carbamoyl]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

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C

DOS

IR

Vibrations