Geometry & MOs

Info

ID:	236457
PubChem CID:	92713107
Reduced:	BrO2N4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	1.63
Dipole, Da:	4.08
IP(EA), eV:	-9.03(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C[C@H]2N(N=C(O2)C3=CC=C(C=C3)Br)C(=O)C)C

DOS

IR

Vibrations