Geometry & MOs

Info

ID:	95451
PubChem CID:	50009412
Reduced:	ClF3O3N4C25H28 (1)
Stoich.:	AB3C3D4E25F28 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-270.14
Dipole, Da:	6.27
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations