Geometry & MOs

Info

ID:	67566
PubChem CID:	46506732
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	554.089404
ΔH_f, kcal/mol:	-27.57
Dipole, Da:	6.39
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C(=CC(=O)N3C2=CC(=N3)C)C)C

DOS

IR

Vibrations