Geometry & MOs

Info

ID:	138338
PubChem CID:	52351213
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	367.132768
ΔH_f, kcal/mol:	8.15
Dipole, Da:	4.11
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-N-(4-methoxycarbonylpiperidin-1-yl)sulfonyl-2-phenylbutanimidate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N[C@H](C)C3=NN=C4N3C=CC=C4)C

DOS

IR

Vibrations