Geometry & MOs

Info

ID:	234033
PubChem CID:	92297572
Reduced:	OSN2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	598.179853
ΔH_f, kcal/mol:	-12.45
Dipole, Da:	4.09
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-N-[(1R)-2-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(2-methylquinolin-6-yl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)NC(=S)N1)CC2=CC=CC=C2

DOS

IR

Vibrations