Geometry & MOs

Info

ID:	57435
PubChem CID:	22395921
Reduced:	SN4O6C32H32 (1)
Stoich.:	AB4C6D32E32 (1)
Weight, g/mol:	375.179421
ΔH_f, kcal/mol:	-172.82
Dipole, Da:	10.95
IP(EA), eV:	-8.69(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidine-2-carbonylamino)-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CC=CC=C3)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)O

DOS

IR

Vibrations