Geometry & MOs

Info

ID:	127435
PubChem CID:	51002256
Reduced:	SN2O4C30H38 (1)
Stoich.:	AB2C4D30E38 (1)
Weight, g/mol:	383.246044
ΔH_f, kcal/mol:	-136.93
Dipole, Da:	7.13
IP(EA), eV:	-7.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)OC2=CC3=C(C=C2)C=C(C=C3)N(C)CCC(=O)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations