Geometry & MOs

Info

ID:	414697
PubChem CID:	135087656
Reduced:	ClFNSO4C16H21 (1)
Stoich.:	ABCDE4F16G21 (1)
Weight, g/mol:	433.159076
ΔH_f, kcal/mol:	-226.69
Dipole, Da:	5.34
IP(EA), eV:	-9.76(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7-[(3-chloro-4-ethoxyphenyl)methyl]-N-ethyl-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)O

DOS

IR

Vibrations