Geometry & MOs

Info

ID:	435681
PubChem CID:	135192146
Reduced:	NSC25H33 (1)
Stoich.:	ABC25D33 (1)
Weight, g/mol:	610.30543
ΔH_f, kcal/mol:	4.6
Dipole, Da:	3.68
IP(EA), eV:	-8.29(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-[5-[[(2Z,4E)-5-fluorohepta-2,4,6-trien-3-yl]oxymethyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-3-methoxyphenoxy]-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC1C(C(C2C1C3=CC=CC=C3S2)C4=CC=CC(=C4C)CCCCNC)C

DOS

IR

Vibrations