Geometry & MOs

Info

ID:

98079

PubChem CID:

50039143

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-197.03

Dipole, Da:

12.15

IP(EA), eV:

 -8.72(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-[(4-fluorophenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations