Geometry & MOs

Info

ID:	380313
PubChem CID:	134970723
Reduced:	ClNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	575.070292
ΔH_f, kcal/mol:	-82.35
Dipole, Da:	4.97
IP(EA), eV:	-9.32(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-[(6R,8aR)-7-ethylsulfanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]carbamate

Drug info:

PubChemData

Smile

CCC/C(=C/1\C(OC(=O)N1)CCC2=CC=CC=C2)/Cl

DOS

IR

Vibrations