Geometry & MOs

Info

ID:	163431
PubChem CID:	57939608
Reduced:	SN2O2F7C26H29 (1)
Stoich.:	AB2C2D7E26F29 (1)
Weight, g/mol:	244.142307
ΔH_f, kcal/mol:	-436.36
Dipole, Da:	5.11
IP(EA), eV:	-9.22(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(3S)-3-hydroxybutanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)N(C)[C@@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)SCCO

DOS

IR

Vibrations