Geometry & MOs

Info

ID:	218858
PubChem CID:	85090074
Reduced:	SF2N4O6H22C23 (1)
Stoich.:	AB2C4D6E22F23 (1)
Weight, g/mol:	518.262816
ΔH_f, kcal/mol:	-278.37
Dipole, Da:	8.27
IP(EA), eV:	-9.12(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-butyl-3-[(3-formamido-2-methylbenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CC1C2CS(=O)(=O)C(=CN2C(=O)N(C1=O)CC3=CC(=C(C=C3)F)F)C(=O)NCC4=CC(=NC=C4)OC

DOS

IR

Vibrations