Geometry & MOs

Info

ID:	56189
PubChem CID:	17422448
Reduced:	ClSN3O3H20C23 (1)
Stoich.:	ABC3D3E20F23 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	-37.12
Dipole, Da:	2.15
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CN(CC1=CSC=C1)C(=O)CN2C3=C(C=CC(=C3)Cl)N(C(=O)C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations