Geometry & MOs

Info

ID:	139528
PubChem CID:	52549778
Reduced:	S2O3N6C21H26 (1)
Stoich.:	A2B3C6D21E26 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-36.32
Dipole, Da:	11.7
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[benzyl-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)S[C@@H](C)C(=O)NC4=C(C=CS4)C(=O)N

DOS

IR

Vibrations