Geometry & MOs

Info

ID:	160192
PubChem CID:	57304967
Reduced:	N2S2O5C24H26 (1)
Stoich.:	A2B2C5D24E26 (1)
Weight, g/mol:	498.138006
ΔH_f, kcal/mol:	-160.94
Dipole, Da:	4.14
IP(EA), eV:	-9.29(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-chlorophenoxy)-5-[2-(dimethylamino)ethyl]-2-(4-methoxycyclohexa-1,3-dien-1-yl)-1,5-benzothiazepine-3,4-dione

Drug info:

PubChemData

Smile

CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CSC[C@H](N(C2=O)CC(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations