Geometry & MOs

Info

ID:	106266
PubChem CID:	50155284
Reduced:	O3N4C29H40 (1)
Stoich.:	A3B4C29D40 (1)
Weight, g/mol:	599.290783
ΔH_f, kcal/mol:	-131.65
Dipole, Da:	9.02
IP(EA), eV:	-8.52(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-fluorophenyl)carbamoyl]phenyl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC=C3CC)C)C

DOS

IR

Vibrations