Geometry & MOs

Info

ID:	301576
PubChem CID:	123086577
Reduced:	BrSO2N4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	497.96835
ΔH_f, kcal/mol:	46.98
Dipole, Da:	9.63
IP(EA), eV:	-9.1(-1.39)
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-(3,5-dichloro-4-propan-2-yloxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=CC=C1C(=O)/C=N\N2C=NN=C2SCC3=CC=C(C=C3)Br

DOS

IR

Vibrations