Geometry & MOs

Info

ID:	178058
PubChem CID:	76270690
Reduced:	SN2O6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	419.174416
ΔH_f, kcal/mol:	-202.72
Dipole, Da:	11.49
IP(EA), eV:	-9.26(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-methoxyphenyl)methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4)O)C

DOS

IR

Vibrations