Geometry & MOs

Info

ID:	38496
PubChem CID:	8136907
Reduced:	BrN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	387.096286
ΔH_f, kcal/mol:	-129.64
Dipole, Da:	6.11
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Br)C(=O)NCC(=O)NC2CC2)OC

DOS

IR

Vibrations