Geometry & MOs

Info

ID:	305300
PubChem CID:	124767973
Reduced:	SCl2N2O3C20H20 (1)
Stoich.:	AB2C2D3E20F20 (1)
Weight, g/mol:	438.057169
ΔH_f, kcal/mol:	-81.04
Dipole, Da:	4.27
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloropropan-2-yl (1R,2R,3R,4R)-3-[(7-methyl-1,3-benzothiazol-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(S2)NC(=O)[C@H]3[C@@H]4C[C@@H]([C@H]3C(=O)OC(CCl)CCl)C=C4

DOS

IR

Vibrations