Geometry & MOs

Info

ID:	325885
PubChem CID:	126685434
Reduced:	SO2N4F5C35H39 (1)
Stoich.:	AB2C4D5E35F39 (1)
Weight, g/mol:	368.150285
ΔH_f, kcal/mol:	-214.89
Dipole, Da:	5.27
IP(EA), eV:	-8.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-[4-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1C#CC(NCC(N1)CCC2=C(C=CC=C2F)NC(=O)[C@H]([C@@H](C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(F)(F)F)N)CCCS(=O)C

DOS

IR

Vibrations