Geometry & MOs

Info

ID:	359759
PubChem CID:	127299706
Reduced:	S2N3O4C17H25 (1)
Stoich.:	A2B3C4D17E25 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-157.82
Dipole, Da:	4.0
IP(EA), eV:	-9.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CN(CC1=CSC=N1)C(=O)C2CCCCC2C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations