Geometry & MOs

Info

ID:	301573
PubChem CID:	123086555
Reduced:	BrS2N4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	446.04121
ΔH_f, kcal/mol:	136.93
Dipole, Da:	7.35
IP(EA), eV:	-9.02(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-ethoxy-3-methoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)/C=N\N2C=NN=C2SCC3=CC=C(C=C3)Br

DOS

IR

Vibrations