Geometry & MOs

Info

ID:	430116
PubChem CID:	135170177
Reduced:	N2C27H40 (1)
Stoich.:	A2B27C40 (1)
Weight, g/mol:	453.139865
ΔH_f, kcal/mol:	-0.24
Dipole, Da:	3.31
IP(EA), eV:	-8.69(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=NC1=C(C=CC(=C1)CCCCN2CCCC2)C3=C(CCCC3)C4CCCCC4

DOS

IR

Vibrations