Geometry & MOs

Info

ID:

101846

PubChem CID:

50065121

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

770.279503

ΔHf, kcal/mol:

-270.37

Dipole, Da:

10.78

IP(EA), eV:

 -8.83(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-chlorobenzoyl)amino]-3-methylphenyl]-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C)C

DOS

IR

Vibrations