Geometry & MOs

Info

ID:	402155
PubChem CID:	135054675
Reduced:	NCl2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	296.180771
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	2.76
IP(EA), eV:	-9.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohepta-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@](CC1=C(C=C(C=C1)Cl)Cl)(C(=O)OC(C)(C)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations