Geometry & MOs

Info

ID:	193181
PubChem CID:	78353283
Reduced:	SN4O4C14H20 (1)
Stoich.:	AB4C4D14E20 (1)
Weight, g/mol:	373.120861
ΔH_f, kcal/mol:	-139.41
Dipole, Da:	6.48
IP(EA), eV:	-8.4(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-2-[(2-phenyl-1,2,4-triazolidin-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CSC2NC(CC(=O)N2)N

DOS

IR

Vibrations