Geometry & MOs

Info

ID:	57483
PubChem CID:	22396026
Reduced:	SN2O5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	515.032077
ΔH_f, kcal/mol:	-161.98
Dipole, Da:	5.25
IP(EA), eV:	-9.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[2-[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-nitrophenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations