Geometry & MOs

Info

ID:	64449
PubChem CID:	29200662
Reduced:	N4O6C27H34 (1)
Stoich.:	A4B6C27D34 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-184.45
Dipole, Da:	5.27
IP(EA), eV:	-8.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-ethylpiperidin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CCNC(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations