Geometry & MOs

Info

ID:	114693
PubChem CID:	50492904
Reduced:	SO3N6C27H32 (1)
Stoich.:	AB3C6D27E32 (1)
Weight, g/mol:	639.265711
ΔH_f, kcal/mol:	-64.38
Dipole, Da:	7.2
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzamido-2-fluorophenyl)-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations