Geometry & MOs

Info

ID:	196697
PubChem CID:	78866060
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	63.75
Dipole, Da:	8.19
IP(EA), eV:	-8.8(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=CC=C2)C3=NC4=C(C=C3)C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations