Geometry & MOs

Info

ID:	283091
PubChem CID:	103957782
Reduced:	SN2O7C11H16 (1)
Stoich.:	AB2C7D11E16 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-246.68
Dipole, Da:	3.31
IP(EA), eV:	-9.9(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(O1)C(=O)NCC(C(=O)OC)O

DOS

IR

Vibrations