Geometry & MOs

Info

ID:	430151
PubChem CID:	135170214
Reduced:	N3O4C21H37 (1)
Stoich.:	A3B4C21D37 (1)
Weight, g/mol:	389.072179
ΔH_f, kcal/mol:	-202.4
Dipole, Da:	3.15
IP(EA), eV:	-8.7(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3-hydroxyphenyl)-10,10-dioxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Drug info:

PubChemData

Smile

CCOC(N1CCC2(C1)CC(C2)N3CCC(CC3)[C@H]4CCCN4C(=O)OC)O

DOS

IR

Vibrations