Geometry & MOs

Info

ID:	149486
PubChem CID:	53789159
Reduced:	NSSiO4C17H29 (1)
Stoich.:	ABCD4E17F29 (1)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	-218.05
Dipole, Da:	6.27
IP(EA), eV:	-8.87(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-tert-butyl-2-[(2-methylpropan-2-yl)oxycarbonyl]anilino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC)C(=O)O)[C@@H](C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations