Geometry & MOs

Info

ID:	435365
PubChem CID:	135191291
Reduced:	NC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	240.056863
ΔH_f, kcal/mol:	44.62
Dipole, Da:	4.35
IP(EA), eV:	-8.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(3,4-dihydroxybenzoyl)-N'-methylcarbamimidothioate

Drug info:

PubChemData

Smile

CCCC1=CN=C(N1)C2=NC=C(C(=N2)C)C

DOS

IR

Vibrations