Geometry & MOs

Info

ID:	67493
PubChem CID:	46506575
Reduced:	SN3O4H23C27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	476.070989
ΔH_f, kcal/mol:	-35.5
Dipole, Da:	8.14
IP(EA), eV:	-8.91(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[(4-chlorophenyl)methyl]-5,5-dioxo-4-pyridin-3-yl-4H-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(=C(OC3=C2S(=O)(=O)N(C4=CC=CC=C43)CC5=CC(=CC=C5)OC)N)C#N

DOS

IR

Vibrations