Geometry & MOs

Info

ID:	301560
PubChem CID:	123085715
Reduced:	ClSO2N5H18C19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	342.097289
ΔH_f, kcal/mol:	107.76
Dipole, Da:	5.03
IP(EA), eV:	-9.0(-2.1)
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-thiophen-2-ylmethanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations