Geometry & MOs

Info

ID:	392614
PubChem CID:	135017377
Reduced:	ClO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	571.093135
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	5.51
IP(EA), eV:	-9.83(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-[(6S,8aS)-2-phenyl-8-phenylmethoxy-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C[C@@H](C[C@]12COC(O2)(C)C)N3C=NC4=C3N=CN=C4Cl

DOS

IR

Vibrations