Geometry & MOs

Info

ID:	61073
PubChem CID:	26705284
Reduced:	SN2O6C23H28 (1)
Stoich.:	AB2C6D23E28 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	-213.2
Dipole, Da:	4.47
IP(EA), eV:	-9.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations