Geometry & MOs

Info

ID:	50825
PubChem CID:	12013414
Reduced:	N2O5C19H24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	510.128314
ΔH_f, kcal/mol:	-187.94
Dipole, Da:	3.92
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-[(4S)-4-phenyl-2-sulfanylidene-1,3-thiazolidine-3-carbonyl]-4H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C1C(=CC2=CC=CC=C2N1C(=O)OC)C(=O)N(C)C)C(=O)OC

DOS

IR

Vibrations