Geometry & MOs

Info

ID:	195949
PubChem CID:	78753218
Reduced:	SCl2N2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	26.28
Dipole, Da:	4.4
IP(EA), eV:	-8.48(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-4,5-dimethyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=S)NC(C)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations