Geometry & MOs

Info

ID:	301562
PubChem CID:	123085720
Reduced:	SO2N5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	486.1089
ΔH_f, kcal/mol:	111.09
Dipole, Da:	7.7
IP(EA), eV:	-9.07(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-bromo-4-propan-2-yloxyphenyl)-N-[3-[(2,5-dimethylphenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2/N=C\C3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations