Geometry & MOs

Info

ID:	145381
PubChem CID:	53513737
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	363.096286
ΔH_f, kcal/mol:	-73.12
Dipole, Da:	2.27
IP(EA), eV:	-8.6(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2S1)CC(=O)NCC(=O)N3CCCC3

DOS

IR

Vibrations