Geometry & MOs

Info

ID:	325084
PubChem CID:	126680405
Reduced:	SO4N6H12C13 (1)
Stoich.:	AB4C6D12E13 (1)
Weight, g/mol:	157.085127
ΔH_f, kcal/mol:	23.06
Dipole, Da:	4.44
IP(EA), eV:	-9.15(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl N-(N'-methylcarbamimidoyl)carbamate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)COC2=CC(=NC3=NNN=C23)N)N=O

DOS

IR

Vibrations