Geometry & MOs

Info

ID:	12193
PubChem CID:	132125
Reduced:	ClN3O3S3H16C18 (1)
Stoich.:	AB3C3D3E16F18 (1)
Weight, g/mol:	453.004233
ΔH_f, kcal/mol:	-62.4
Dipole, Da:	5.5
IP(EA), eV:	-8.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetyl]-4-(1,3-dithiol-2-ylidene)-2H-1-benzazepine-3,5-dione;hydrochloride

Drug info:

PubChemData

Smile

C1CSC(=N1)NCC(=O)N2CC(=O)C(=C3SC=CS3)C(=O)C4=CC=CC=C42.Cl

DOS

IR

Vibrations