Geometry & MOs

Info

ID:	415682
PubChem CID:	135088681
Reduced:	FNSO4C17H24 (1)
Stoich.:	ABCD4E17F24 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-230.53
Dipole, Da:	5.66
IP(EA), eV:	-9.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC3(CC2)CC(CCO3)(C)O)F

DOS

IR

Vibrations