Geometry & MOs

Info

ID:	302791
PubChem CID:	124395506
Reduced:	FN2O7H21C25 (1)
Stoich.:	AB2C7D21E25 (1)
Weight, g/mol:	432.219512
ΔH_f, kcal/mol:	-219.01
Dipole, Da:	3.4
IP(EA), eV:	-8.94(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)N2)CC3=CC=C(O3)C(=O)OC)OCC4=CC(=CC=C4)F

DOS

IR

Vibrations