Geometry & MOs

Info

ID:	62805
PubChem CID:	26736950
Reduced:	SN2O5C23H32 (1)
Stoich.:	AB2C5D23E32 (1)
Weight, g/mol:	474.14924
ΔH_f, kcal/mol:	-193.43
Dipole, Da:	1.95
IP(EA), eV:	-8.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(3,4-dimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)S(=O)(=O)N[C@H](C(C)C)C(=O)NC2=CC(=C(C=C2)OC)OC)C)C

DOS

IR

Vibrations