Geometry & MOs

Info

ID:	57474
PubChem CID:	22396012
Reduced:	SN3O7C25H29 (1)
Stoich.:	AB3C7D25E29 (1)
Weight, g/mol:	583.094677
ΔH_f, kcal/mol:	-257.12
Dipole, Da:	7.2
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations