Geometry & MOs

Info

ID:	301561
PubChem CID:	123085719
Reduced:	S2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	119.94
Dipole, Da:	7.04
IP(EA), eV:	-8.7(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2/N=C\C3=CC=CS3)C

DOS

IR

Vibrations