Geometry & MOs

Info

ID:	443816
PubChem CID:	135260061
Reduced:	SN4O4C27H38 (1)
Stoich.:	AB4C4D27E38 (1)
Weight, g/mol:	314.090272
ΔH_f, kcal/mol:	-127.92
Dipole, Da:	6.38
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-aminoacetyl)-3-nitrophenyl]-2-hydroxy-2-phenylethanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC(=C2)CN3CCN(CC3)S(=O)(=O)C)C)CC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations