Geometry & MOs

Info

ID:	74655
PubChem CID:	48422247
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	401.175084
ΔH_f, kcal/mol:	-13.86
Dipole, Da:	4.98
IP(EA), eV:	-8.92(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=C(C=C1)N2C=CC=N2)OCC3CC3

DOS

IR

Vibrations