Geometry & MOs

Info

ID:	127778
PubChem CID:	51014782
Reduced:	FN3O4H24C27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-108.44
Dipole, Da:	5.36
IP(EA), eV:	-8.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4S)-3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C3=CN(C[C@@H]([C@@H](OCCN4C=C2C5=CC=CC=C54)CO)F)C6=CC=CC=C63

DOS

IR

Vibrations