Geometry & MOs

Info

ID:	357203
PubChem CID:	127293707
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-168.91
Dipole, Da:	9.66
IP(EA), eV:	-9.28(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C=C(C(=O)N2)C(=O)NC3CCN(CC3)C(=O)C4CC4)C(=O)C1)C

DOS

IR

Vibrations