Geometry & MOs

Info

ID:	417124
PubChem CID:	135091404
Reduced:	FNO5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-267.79
Dipole, Da:	4.87
IP(EA), eV:	-9.34(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=C(C=C(C=C3)O)F)O

DOS

IR

Vibrations