Geometry & MOs

Info

ID:	405393
PubChem CID:	135073730
Reduced:	NSO5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	273.07661
ΔH_f, kcal/mol:	-139.95
Dipole, Da:	5.32
IP(EA), eV:	-9.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(diethoxyphosphorylmethyl)-5-isocyanato-2-methylfuran

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C(C)CCC=C(C)C)OC(=O)OC2=CC=CC=C2

DOS

IR

Vibrations