Geometry & MOs

Info

ID:	185885
PubChem CID:	77365369
Reduced:	N2O3C27H40 (1)
Stoich.:	A2B3C27D40 (1)
Weight, g/mol:	217.077265
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	7.61
IP(EA), eV:	-9.59(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)NC(C)(C)C#CC(C)(C)O)CCC4C3(C=CC(=O)N4)C

DOS

IR

Vibrations