Geometry & MOs

Info

ID:	356654
PubChem CID:	127292073
Reduced:	N2S2O4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-166.42
Dipole, Da:	7.89
IP(EA), eV:	-8.76(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations