Geometry & MOs

Info

ID:	410155
PubChem CID:	135082946
Reduced:	SN2O4C12H12 (1)
Stoich.:	AB2C4D12E12 (1)
Weight, g/mol:	236.056209
ΔH_f, kcal/mol:	-107.77
Dipole, Da:	5.43
IP(EA), eV:	-10.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-diethoxyphosphoryl-1-methyl-3-(oxomethylidene)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C(=O)N=C=O

DOS

IR

Vibrations