Geometry & MOs

Info

ID:	366409
PubChem CID:	127319890
Reduced:	SN4O4C14H20 (1)
Stoich.:	AB4C4D14E20 (1)
Weight, g/mol:	301.128723
ΔH_f, kcal/mol:	-146.71
Dipole, Da:	3.44
IP(EA), eV:	-9.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(tetrazol-1-yl)benzoyl]amino]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCN(C1)C(=O)N)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations