Geometry & MOs

Info

ID:

97982

PubChem CID:

50037571

Reduced:

ClF2O4N5H36C37 (1)

Stoich.:

AB2C4D5E36F37 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-192.62

Dipole, Da:

13.18

IP(EA), eV:

 -8.9(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)Cl

DOS

IR

Vibrations