Geometry & MOs

Info

ID:	34216
PubChem CID:	7890340
Reduced:	SN2O5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-202.05
Dipole, Da:	3.62
IP(EA), eV:	-10.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N

DOS

IR

Vibrations