Geometry & MOs

Info

ID:	301552
PubChem CID:	123085421
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	367.110296
ΔH_f, kcal/mol:	65.64
Dipole, Da:	10.23
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=NN=CN2/N=C\C3=CC=CC=C3OCC(C)C

DOS

IR

Vibrations