Geometry & MOs

Info

ID:	233910
PubChem CID:	92192413
Reduced:	SN2O2C20H28 (1)
Stoich.:	AB2C2D20E28 (1)
Weight, g/mol:	386.087118
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	4.58
IP(EA), eV:	-8.14(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)N(CCC(C)C)[C@H](C)C2=CC=CS2

DOS

IR

Vibrations