Geometry & MOs

Info

ID:	301582
PubChem CID:	123086773
Reduced:	BrOSCl2N4H17C19 (1)
Stoich.:	ABCD2E4F17G19 (1)
Weight, g/mol:	518.09872
ΔH_f, kcal/mol:	75.1
Dipole, Da:	10.1
IP(EA), eV:	-8.91(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-yl]-1-(3,5-dimethoxy-4-propoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)Br)C)Cl

DOS

IR

Vibrations