Geometry & MOs

Info

ID:	233911
PubChem CID:	92192415
Reduced:	OSN2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	478.149718
ΔH_f, kcal/mol:	12.06
Dipole, Da:	3.47
IP(EA), eV:	-9.06(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-butoxyphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC[C@@H]4CCCO4

DOS

IR

Vibrations