Geometry & MOs

Info

ID:	364323
PubChem CID:	127315422
Reduced:	S2N3O4C16H21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	-101.07
Dipole, Da:	4.62
IP(EA), eV:	-9.19(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxole-5-carbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2C3=CSC=C3

DOS

IR

Vibrations