Geometry & MOs

Info

ID:	195164
PubChem CID:	78647629
Reduced:	N2O6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	413.176227
ΔH_f, kcal/mol:	-166.06
Dipole, Da:	0.96
IP(EA), eV:	-9.57(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butan-2-ylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)COC2=CC=CC=C2C#N

DOS

IR

Vibrations