Geometry & MOs

Info

ID:	407296
PubChem CID:	135079761
Reduced:	ClSO2N3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	311.01314
ΔH_f, kcal/mol:	-20.07
Dipole, Da:	1.93
IP(EA), eV:	-9.08(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-amino-2-cyano-3-oxopropanethioyl)amino]-5-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=S)C(C#N)C(=O)N)Cl

DOS

IR

Vibrations