Geometry & MOs

Info

ID:	130665
PubChem CID:	51091936
Reduced:	OSN6C14H14 (1)
Stoich.:	ABC6D14E14 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	76.77
Dipole, Da:	4.6
IP(EA), eV:	-9.4(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonamido)-N-[(1-methylpyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)NCC3=CN(N=C3)C

DOS

IR

Vibrations