Geometry & MOs

Info

ID:	65585
PubChem CID:	46386648
Reduced:	SN4O6H20C25 (1)
Stoich.:	AB4C6D20E25 (1)
Weight, g/mol:	402.151433
ΔH_f, kcal/mol:	-65.6
Dipole, Da:	3.03
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(4-methylphenyl)-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC5=C(C=C4C(=O)N3CC6=CC=CO6)OCO5

DOS

IR

Vibrations