Geometry & MOs

Info

ID:	323808
PubChem CID:	126676225
Reduced:	ClN2O2C24H27 (1)
Stoich.:	AB2C2D24E27 (1)
Weight, g/mol:	485.221366
ΔH_f, kcal/mol:	-61.09
Dipole, Da:	5.81
IP(EA), eV:	-8.51(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-tert-butyl-5-[[(Z)-3-ethoxy-2-(2-fluorobenzoyl)prop-2-enoyl]amino]-2-propan-2-ylphenyl] methyl carbonate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=C(C3=CC=CC=C3N=C2)Cl)O)C(C)(C)C

DOS

IR

Vibrations