Geometry & MOs

Info

ID:	188235
PubChem CID:	77686683
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	408.150764
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	9.19
IP(EA), eV:	-8.26(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-amino-1-cyclohexyl-2-oxoethyl)-3-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1C(=NC(=C2C=CC(=O)S2)N=C1NC3=CC=C(C=C3)CC(=O)OCC)C

DOS

IR

Vibrations