Geometry & MOs

Info

ID:

234245

PubChem CID:

92298004

Reduced:

O3N7C31H31 (1)

Stoich.:

A3B7C31D31 (1)

Weight, g/mol:

544.189275

ΔHf, kcal/mol:

48.94

Dipole, Da:

9.04

IP(EA), eV:

 -8.9(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-benzyl-5-N-[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-quinolin-6-ylethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=NN=N2)[C@H](C3=CC4=CC5=C(C=C4NC3=O)OCCO5)N(CC6=CC=CC=C6)CC7=CN=CC=C7

DOS

IR

Vibrations