Geometry & MOs

Info

ID:	74893
PubChem CID:	48422656
Reduced:	N2F3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-229.74
Dipole, Da:	5.91
IP(EA), eV:	-9.23(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)NC1=C(C(=C(C=C1)F)F)F)OCC2CC2

DOS

IR

Vibrations