Geometry & MOs

Info

ID:	46840
PubChem CID:	10527769
Reduced:	NSCl3H15C24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	456.166153
ΔH_f, kcal/mol:	107.06
Dipole, Da:	0.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.309813
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-5-dimethoxyphosphoryl-2-ethoxy-N,N-diethyl-4-(4-nitrophenyl)-3,4-dihydro-2H-pyran-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2[N]SC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4)Cl

DOS

IR

Vibrations