Geometry & MOs

Info

ID:	62204
PubChem CID:	26718134
Reduced:	O2S2N3H19C24 (1)
Stoich.:	A2B2C3D19E24 (1)
Weight, g/mol:	474.161329
ΔH_f, kcal/mol:	-0.49
Dipole, Da:	3.21
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-tert-butylbenzoyl)amino]phenyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[C@@H]4C(=O)NC5=CC=CC=C5S4

DOS

IR

Vibrations