Geometry & MOs

Info

ID:	56190
PubChem CID:	17422459
Reduced:	SO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	380.130697
ΔH_f, kcal/mol:	0.4
Dipole, Da:	8.39
IP(EA), eV:	-8.16(-0.26)
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-phenylmethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NNC(=N2)C3CC3

DOS

IR

Vibrations