Geometry & MOs

Info

ID:	194501
PubChem CID:	78546525
Reduced:	FNO3H20C23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	415.214744
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	6.42
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-benzylbenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=CC=C2CC3=CC=CC=C3

DOS

IR

Vibrations