Geometry & MOs

Info

ID:	301553
PubChem CID:	123085521
Reduced:	SO2N5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	312.104482
ΔH_f, kcal/mol:	120.01
Dipole, Da:	7.82
IP(EA), eV:	-9.08(-1.96)
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-(furan-2-yl)methanimine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=NN=CN2/N=C\C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations