Geometry & MOs

Info

ID:	244504
PubChem CID:	99355783
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	22.67
Dipole, Da:	4.72
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=CC=N3)OC)C

DOS

IR

Vibrations