Geometry & MOs

Info

ID:	148826
PubChem CID:	53788495
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	339.092915
ΔH_f, kcal/mol:	-46.47
Dipole, Da:	5.16
IP(EA), eV:	-9.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylsulfanylphenyl)indolizin-3-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1(CN2[C@@H](S1)C(C2=O)(C(=O)N(C)CC3=CC=CC=C3)N)C

DOS

IR

Vibrations