Geometry & MOs

Info

ID:	301554
PubChem CID:	123085522
Reduced:	OSN4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	403.183067
ΔH_f, kcal/mol:	96.21
Dipole, Da:	7.5
IP(EA), eV:	-8.8(-1.37)
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-(1-ethyl-2-methylindol-3-yl)methanimine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=NN=CN2/N=C\C3=CC=CO3

DOS

IR

Vibrations