Geometry & MOs

Info

ID:	369649
PubChem CID:	127334979
Reduced:	NSO2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-111.48
Dipole, Da:	6.85
IP(EA), eV:	-9.54(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N(CC2=CN=CC=C2)C(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations