Geometry & MOs

Info

ID:	217849
PubChem CID:	85088487
Reduced:	NSSeO2C19H21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	406.152872
ΔH_f, kcal/mol:	-28.6
Dipole, Da:	6.6
IP(EA), eV:	-8.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(2-hydroxy-5-nitrophenyl)methylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1CN(CC1=C[Se]C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations