Geometry & MOs

Info

ID:	232714
PubChem CID:	87576795
Reduced:	ClON6C19H25 (1)
Stoich.:	ABC6D19E25 (1)
Weight, g/mol:	237.994464
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	2.26
IP(EA), eV:	-8.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzenecarbodithioic acid;thiophene

Drug info:

PubChemData

Smile

CCNC(=O)CC1CN(C2=C1C(=NC(=N2)N)Cl)CC3=CN=C(C(=C3C)C)C

DOS

IR

Vibrations