Geometry & MOs

Info

ID:	56241
PubChem CID:	17422795
Reduced:	N3O3S3H13C15 (1)
Stoich.:	A3B3C3D13E15 (1)
Weight, g/mol:	482.117939
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	2.15
IP(EA), eV:	-9.01(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations