Geometry & MOs

Info

ID:	415804
PubChem CID:	135088805
Reduced:	SN4O5C14H18 (1)
Stoich.:	AB4C5D14E18 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	4.49
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C(=O)NCC2=NC(=NO2)COC)S(=O)(=O)C

DOS

IR

Vibrations