Geometry & MOs

Info

ID:

95481

PubChem CID:

50009698

Reduced:

O3N4C27H36 (1)

Stoich.:

A3B4C27D36 (1)

Weight, g/mol:

674.302825

ΔHf, kcal/mol:

-115.06

Dipole, Da:

7.0

IP(EA), eV:

 -9.13(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)C)C

DOS

IR

Vibrations