Geometry & MOs

Info

ID:	13740
PubChem CID:	397463
Reduced:	NSO7C22H27 (1)
Stoich.:	ABC7D22E27 (1)
Weight, g/mol:	449.150823
ΔH_f, kcal/mol:	-261.09
Dipole, Da:	0.64
IP(EA), eV:	-8.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylsulfanyl-7a-hydroxy-2,5-dioxo-3,4-dihydroindole-3a-carboxylate

Drug info:

PubChemData

Smile

CCSC1=CC2(C(CC1=O)(CC(=O)N2CCC3=CC(=C(C=C3)OC)OC)C(=O)OC)O

DOS

IR

Vibrations