Geometry & MOs

Info

ID:	311166
PubChem CID:	126589677
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	391.235873
ΔH_f, kcal/mol:	-33.27
Dipole, Da:	1.82
IP(EA), eV:	-8.27(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[3-methyl-2-[(Z)-prop-1-enyl]-2,3,6,7-tetrahydro-1H-inden-1-yl]methoxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)C3=C(C2CO)CCC=C3

DOS

IR

Vibrations