Geometry & MOs

Info

ID:	144516
PubChem CID:	53380178
Reduced:	SN2O3C27H30 (1)
Stoich.:	AB2C3D27E30 (1)
Weight, g/mol:	448.182064
ΔH_f, kcal/mol:	-71.17
Dipole, Da:	2.08
IP(EA), eV:	-9.06(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-amino-3-thiophen-2-ylpropanoyl]-4-[(4-phenylphenyl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1(CCN(CC1)C(=O)[C@H](CC2=CC=CS2)N)CC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations