Geometry & MOs

Info

ID:	47021
PubChem CID:	10528997
Reduced:	BrNSO4H22C23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	488.155982
ΔH_f, kcal/mol:	-99.09
Dipole, Da:	3.15
IP(EA), eV:	-9.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=C(C=C2)CCCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations