Geometry & MOs

Info

ID:	367698
PubChem CID:	127325449
Reduced:	SO3N4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	245.108565
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	5.21
IP(EA), eV:	-9.88(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC(=CC=C2)N3C=NC=N3

DOS

IR

Vibrations