Geometry & MOs

Info

ID:	67595
PubChem CID:	46506785
Reduced:	ClS2N4O4H23C27 (1)
Stoich.:	AB2C4D4E23F27 (1)
Weight, g/mol:	550.090011
ΔH_f, kcal/mol:	-57.64
Dipole, Da:	2.91
IP(EA), eV:	-8.66(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C4=NC(=NC=C4S2(=O)=O)SCC(=O)NC5=CC(=C(C=C5)OC)Cl

DOS

IR

Vibrations