Geometry & MOs

Info

ID:	127546
PubChem CID:	51005819
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	521.184764
ΔH_f, kcal/mol:	-23.86
Dipole, Da:	2.3
IP(EA), eV:	-8.96(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1R,2S,3R,4S)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

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CC(C)C(=O)[C@@H]1[C@@H]2C[C@H](C1=C(C)C)C=C2

DOS

IR

Vibrations