Geometry & MOs

Info

ID:	29105
PubChem CID:	831654
Reduced:	NO5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	323.082744
ΔH_f, kcal/mol:	-150.7
Dipole, Da:	5.29
IP(EA), eV:	-9.01(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-6-[(3-methoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)O)O3

DOS

IR

Vibrations