Geometry & MOs

Info

ID:

115598

PubChem CID:

50528147

Reduced:

ClFO4N5C26H31 (1)

Stoich.:

ABC4D5E26F31 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-188.25

Dipole, Da:

7.66

IP(EA), eV:

 -8.93(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2,6-difluorophenyl)carbamoyl]phenyl]-1-[1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations