Geometry & MOs

Info

ID:	41417
PubChem CID:	8145848
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	396.198383
ΔH_f, kcal/mol:	-101.67
Dipole, Da:	3.62
IP(EA), eV:	-8.92(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[[4-[(1S,2R)-2-methylcyclohexyl]-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CCC(=O)N/N=C(/C)\CC(=O)NC1=CC=CC=C1NC(=O)C

DOS

IR

Vibrations