Geometry & MOs

Info

ID:	329372
PubChem CID:	126735639
Reduced:	FN2O13C33H47 (1)
Stoich.:	AB2C13D33E47 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-649.59
Dipole, Da:	3.56
IP(EA), eV:	-9.3(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a-(1-ethylsulfonylethenyl)-3-methylidene-1,2,4,5,6,7-hexahydronaphthalen-2-amine

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)C(C(=O)NCCCCCCNC(=O)OC(C)(C)C)F)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations