Geometry & MOs

Info

ID:	304401
PubChem CID:	124580866
Reduced:	NO5C30H55 (1)
Stoich.:	AB5C30D55 (1)
Weight, g/mol:	461.106372
ΔH_f, kcal/mol:	-320.98
Dipole, Da:	4.83
IP(EA), eV:	-10.11(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4S)-3-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC[C@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@@H](CC(C)C)NC(=O)C

DOS

IR

Vibrations