Geometry & MOs

Info

ID:	41608
PubChem CID:	8146522
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-37.76
Dipole, Da:	4.24
IP(EA), eV:	-8.19(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[(6-ethyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C)C3=CC=CC(=C3)C

DOS

IR

Vibrations