Geometry & MOs

Info

ID:	301473
PubChem CID:	123080908
Reduced:	ClOSN4H19C22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	476.14376
ΔH_f, kcal/mol:	107.46
Dipole, Da:	6.36
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-propan-2-yloxyphenyl)methanimine

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations