Geometry & MOs

Info

ID:	305336
PubChem CID:	124768011
Reduced:	NSO5C23H23 (1)
Stoich.:	ABC5D23E23 (1)
Weight, g/mol:	425.129694
ΔH_f, kcal/mol:	-140.39
Dipole, Da:	7.24
IP(EA), eV:	-9.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,4R)-3-[[4-(4-ethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]3C(=O)O)C=C4

DOS

IR

Vibrations