Geometry & MOs

Info

ID:	236852
PubChem CID:	92715027
Reduced:	SN3O7C23H35 (1)
Stoich.:	AB3C7D23E35 (1)
Weight, g/mol:	518.165762
ΔH_f, kcal/mol:	-315.93
Dipole, Da:	9.12
IP(EA), eV:	-9.09(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,2,5-trimethyl-4-[(3R)-3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCC4(CC3)OCCO4)C)C)C

DOS

IR

Vibrations