Geometry & MOs

Info

ID:	128786
PubChem CID:	51057797
Reduced:	N2O5C11H12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	188.073182
ΔH_f, kcal/mol:	-149.96
Dipole, Da:	10.2
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylcarbamothioylamino)-3-prop-2-enylurea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(O2)CC(=O)O.O

DOS

IR

Vibrations