Geometry & MOs

Info

ID:	216648
PubChem CID:	85086558
Reduced:	FO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	288.114378
ΔH_f, kcal/mol:	-138.14
Dipole, Da:	3.95
IP(EA), eV:	-8.84(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[1-(3-sulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1CC2=C(C=CC(=C2)O)C3C1C4CCC(=O)C4CC3F

DOS

IR

Vibrations