Geometry & MOs

Info

ID:	418547
PubChem CID:	135105671
Reduced:	ClNO5H14C15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	431.167891
ΔH_f, kcal/mol:	-175.1
Dipole, Da:	5.55
IP(EA), eV:	-10.24(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-7-(2-methoxyacetyl)-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations