Geometry & MOs

Info

ID:

99859

PubChem CID:

50055623

Reduced:

BrClFO3N4C29H29 (1)

Stoich.:

ABCD3E4F29G29 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-123.94

Dipole, Da:

11.74

IP(EA), eV:

 -8.72(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations