Geometry & MOs

Info

ID:	57395
PubChem CID:	22395824
Reduced:	SCl2N4O5C25H26 (1)
Stoich.:	AB2C4D5E25F26 (1)
Weight, g/mol:	577.084112
ΔH_f, kcal/mol:	-149.02
Dipole, Da:	7.33
IP(EA), eV:	-9.38(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)N(CC3=CC=CC=C3)C(CC4=CN=CN4)C(=O)O

DOS

IR

Vibrations