Geometry & MOs

Info

ID:	243723
PubChem CID:	99234339
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	442.240248
ΔH_f, kcal/mol:	-31.6
Dipole, Da:	6.46
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](CN1CCC2=CC=CC=C2C1)NC(=O)COC3=CC=C(C=C3)CC#N

DOS

IR

Vibrations