Geometry & MOs

Info

ID:	43929
PubChem CID:	10322114
Reduced:	NO2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	462.14089
ΔH_f, kcal/mol:	-102.58
Dipole, Da:	3.36
IP(EA), eV:	-8.68(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(7S)-7-acetamido-1,2,3-trimethoxy-10,10-bis(methylsulfanyl)-6,7-dihydro-5H-benzo[a]heptalen-9-olate

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)NCC3C4C3CN(C4)CCC5=CC6=C(C=C5)OCO6)O

DOS

IR

Vibrations