Geometry & MOs

Info

ID:	419034
PubChem CID:	135107370
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	400.130422
ΔH_f, kcal/mol:	-134.14
Dipole, Da:	2.17
IP(EA), eV:	-9.84(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(2-methoxy-5-sulfamoylbenzoyl)-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)C)C(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations