Geometry & MOs

Info

ID:	57486
PubChem CID:	22396032
Reduced:	SF2N2O5C21H22 (1)
Stoich.:	AB2C2D5E21F22 (1)
Weight, g/mol:	544.083778
ΔH_f, kcal/mol:	-263.62
Dipole, Da:	8.23
IP(EA), eV:	-9.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[4-[1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-3-methoxy-1-oxopropan-2-yl]oxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC=CC(=C2)F)C(=O)NC(CC3=CC=C(C=C3)F)C(=O)O

DOS

IR

Vibrations