Geometry & MOs

Info

ID:	121256
PubChem CID:	50760509
Reduced:	ClO2S2N3H14C19 (1)
Stoich.:	AB2C2D3E14F19 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-14.37
Dipole, Da:	3.28
IP(EA), eV:	-8.67(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-formylpiperazin-1-yl)-(2-methylanilino)methylidene]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C3NC(=O)C4=C(N3C(=S)S2)C=CC(=C4)Cl)C

DOS

IR

Vibrations