Geometry & MOs

Info

ID:	404417
PubChem CID:	135066272
Reduced:	S2N3O5H19C20 (1)
Stoich.:	A2B3C5D19E20 (1)
Weight, g/mol:	490.119858
ΔH_f, kcal/mol:	-137.73
Dipole, Da:	5.74
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) (3S)-3-[(4-methylphenyl)sulfonylamino]-3-naphthalen-1-ylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H]2[C@@H](NC(=S)N2S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCOC4=O

DOS

IR

Vibrations