Geometry & MOs

Info

ID:	217881
PubChem CID:	85088529
Reduced:	SN2O3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-11.89
Dipole, Da:	2.88
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)oxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1C2=NC(C(O2)C3=CC=CC=C3)COC)C(C)SC4=CC=CC=C4

DOS

IR

Vibrations