Geometry & MOs

Info

ID:	235328
PubChem CID:	92309438
Reduced:	OSN3C23H27 (1)
Stoich.:	ABC3D23E27 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-3.37
Dipole, Da:	6.54
IP(EA), eV:	-8.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[5-(5-methylindazol-1-yl)-5-oxopentanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N[C@@H](C)C2=C(SC3=C2CCCC3)N4C=CC=C4)C

DOS

IR

Vibrations