Geometry & MOs

Info

ID:	240681
PubChem CID:	93617056
Reduced:	SN3O4C14H17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	272.094312
ΔH_f, kcal/mol:	-92.04
Dipole, Da:	7.41
IP(EA), eV:	-8.64(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CN(N=C3)C

DOS

IR

Vibrations