Geometry & MOs

Info

ID:	71039
PubChem CID:	48414209
Reduced:	FON5C18H20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	376.066383
ΔH_f, kcal/mol:	-13.32
Dipole, Da:	4.41
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC2=C(N(N=C2C)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations