Geometry & MOs

Info

ID:	308703
PubChem CID:	126522399
Reduced:	S2O6N8C21H24 (1)
Stoich.:	A2B6C8D21E24 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	-165.28
Dipole, Da:	6.88
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-tert-butyl-2-carbamoyloxolan-3-yl]-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)CN1C(=O)C2=C(N=C(N2C)SCSC3=NC4=C(N3C)C(=O)N(C(=O)N4C)CC(=O)C)N(C1=O)C

DOS

IR

Vibrations