Geometry & MOs

Info

ID:	142008
PubChem CID:	52968373
Reduced:	S2N3O7C22H29 (1)
Stoich.:	A2B3C7D22E29 (1)
Weight, g/mol:	567.207293
ΔH_f, kcal/mol:	-257.18
Dipole, Da:	11.54
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(dipropylsulfamoyl)benzoyl]imino-3-(2-methoxy-2-oxoethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC2C(C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)N2CC(=O)OC

DOS

IR

Vibrations