Geometry & MOs

Info

ID:

102541

PubChem CID:

50068063

Reduced:

O3F4N4H28C29 (1)

Stoich.:

A3B4C4D28E29 (1)

Weight, g/mol:

631.297011

ΔHf, kcal/mol:

-253.22

Dipole, Da:

10.65

IP(EA), eV:

 -8.93(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations