Geometry & MOs

Info

ID:	301756
PubChem CID:	123094544
Reduced:	SO4N5H25C26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	472.116504
ΔH_f, kcal/mol:	70.5
Dipole, Da:	9.45
IP(EA), eV:	-8.94(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3,4-dimethoxy-5-nitrophenyl)-N-[3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=C(C=CC=C2OC)/C=N\N3C(=NN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations