Geometry & MOs

Info

ID:	195369
PubChem CID:	78677877
Reduced:	BrNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	1.94
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2-phenylbutylamino)propan-2-yl] 3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1CN(CCS1)C(=O)C=CC2=CC(=CC=C2)Br

DOS

IR

Vibrations