Geometry & MOs

Info

ID:	225795
PubChem CID:	87226128
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	167.98726
ΔH_f, kcal/mol:	-20.3
Dipole, Da:	2.98
IP(EA), eV:	-8.59(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(carbamothioylamino)-1-chlorourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C(/CCN)\Cl

DOS

IR

Vibrations