Geometry & MOs

Info

ID:	61596
PubChem CID:	26710846
Reduced:	ClN3S3O4C18H18 (1)
Stoich.:	AB3C3D4E18F18 (1)
Weight, g/mol:	429.06394
ΔH_f, kcal/mol:	-55.95
Dipole, Da:	1.8
IP(EA), eV:	-8.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N(C)OC

DOS

IR

Vibrations