Geometry & MOs

Info

ID:	40967
PubChem CID:	8145034
Reduced:	SO3N4C21H30 (1)
Stoich.:	AB3C4D21E30 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	7.22
IP(EA), eV:	-8.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-methyl-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C(C)C

DOS

IR

Vibrations