Geometry & MOs

Info

ID:	366077
PubChem CID:	127319408
Reduced:	OSN4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	17.03
Dipole, Da:	5.21
IP(EA), eV:	-9.19(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-4-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=NNC(=C3)C4CC4

DOS

IR

Vibrations