Geometry & MOs

Info

ID:	245220
PubChem CID:	99437934
Reduced:	F3N3O3C16H20 (1)
Stoich.:	A3B3C3D16E20 (1)
Weight, g/mol:	420.157974
ΔH_f, kcal/mol:	-270.16
Dipole, Da:	2.21
IP(EA), eV:	-8.87(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-4-[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)COCC(F)(F)F

DOS

IR

Vibrations