Geometry & MOs

Info

ID:	142013
PubChem CID:	52968572
Reduced:	N3S3O5C17H21 (1)
Stoich.:	A3B3C5D17E21 (1)
Weight, g/mol:	469.097742
ΔH_f, kcal/mol:	-150.44
Dipole, Da:	5.68
IP(EA), eV:	-8.86(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3-(2-methoxy-2-oxoethyl)-6-sulfamoyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)CN1C2CCC(CC2SC1=NC(=O)/C=C/C3=CC=CS3)S(=O)(=O)N

DOS

IR

Vibrations