Geometry & MOs

Info

ID:	304793
PubChem CID:	124766179
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	415.150761
ΔH_f, kcal/mol:	-95.09
Dipole, Da:	1.27
IP(EA), eV:	-9.23(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-2-N-(pyridin-3-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](N[C@H]2C3=CC=CS3)(C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations