Geometry & MOs

Info

ID:	157616
PubChem CID:	56436115
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-150.5
Dipole, Da:	5.52
IP(EA), eV:	-8.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[[2-(4-fluorophenyl)acetyl]amino]ethylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)NC(=O)CC(C)C)NS(=O)(=O)C

DOS

IR

Vibrations