Geometry & MOs

Info

ID:	45971
PubChem CID:	10519917
Reduced:	NBr2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	323.124622
ΔH_f, kcal/mol:	-12.01
Dipole, Da:	2.88
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl N-[[diethoxyphosphorylmethyl(methyl)carbamoyl]amino]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=N/O)/C(Br)Br

DOS

IR

Vibrations