Geometry & MOs

Info

ID:	418321
PubChem CID:	135104187
Reduced:	NSO7C14H19 (1)
Stoich.:	ABC7D14E19 (1)
Weight, g/mol:	373.101765
ΔH_f, kcal/mol:	-273.87
Dipole, Da:	7.24
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O)OC

DOS

IR

Vibrations