Geometry & MOs

Info

ID:	186942
PubChem CID:	77507128
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	530.1687
ΔH_f, kcal/mol:	-131.96
Dipole, Da:	2.2
IP(EA), eV:	-8.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[4-[[2-(3,5-difluorophenyl)acetyl]amino]phenyl]phenyl]sulfonyl-methylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CNC2=CC=CC=C21)N3C(=O)CCC3=O

DOS

IR

Vibrations