Geometry & MOs

Info

ID:	306980
PubChem CID:	125264542
Reduced:	SN4O4C16H16 (1)
Stoich.:	AB4C4D16E16 (1)
Weight, g/mol:	339.96296
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	8.89
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[(5-oxo-6H-1,2,4-triazin-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[C@@H]3C(=NC(=O)NC3=O)C

DOS

IR

Vibrations