Geometry & MOs

Info

ID:	245246
PubChem CID:	99438020
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	408.111693
ΔH_f, kcal/mol:	22.47
Dipole, Da:	3.6
IP(EA), eV:	-8.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN(C)C(=O)C2=C3CCC/C(=C/C4=CC=CO4)/C3=NC5=CC=CC=C52

DOS

IR

Vibrations