Geometry & MOs

Info

ID:	242770
PubChem CID:	99206177
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-92.84
Dipole, Da:	8.09
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=C(C=C3)N4CCC[C@H](C4)C(=O)N)C

DOS

IR

Vibrations