Geometry & MOs

Info

ID:	57410
PubChem CID:	22395853
Reduced:	SN4O8C24H30 (1)
Stoich.:	AB4C8D24E30 (1)
Weight, g/mol:	633.110327
ΔH_f, kcal/mol:	-289.24
Dipole, Da:	9.54
IP(EA), eV:	-9.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-acetamidophenoxy)phenyl]-2-[[1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CCCNC(=O)N)C(=O)O)OC

DOS

IR

Vibrations