Geometry & MOs

Info

ID:	193813
PubChem CID:	78441134
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	416.224597
ΔH_f, kcal/mol:	-193.61
Dipole, Da:	1.83
IP(EA), eV:	-9.37(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)OC(C)C(=O)N(C)C2CCCCC2

DOS

IR

Vibrations