Geometry & MOs

Info

ID:	301474
PubChem CID:	123080913
Reduced:	ClOSN4H25C26 (1)
Stoich.:	ABCD4E25F26 (1)
Weight, g/mol:	450.068402
ΔH_f, kcal/mol:	89.23
Dipole, Da:	6.36
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3-methoxy-2-propoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations