Geometry & MOs

Info

ID:	366100
PubChem CID:	127319461
Reduced:	SN2O4C14H24 (1)
Stoich.:	AB2C4D14E24 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-199.73
Dipole, Da:	5.73
IP(EA), eV:	-9.23(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-cyclopropyl-N-(1,1-dioxothian-3-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(C(=O)CC1)CC(=O)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations