Geometry & MOs

Info

ID:	397459
PubChem CID:	135030244
Reduced:	BrSN2O2C17H21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	380.0558
ΔH_f, kcal/mol:	-61.53
Dipole, Da:	3.98
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromoquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CC(=CN=C12)Br)SC(C(=O)NC(C)(C)C)OC

DOS

IR

Vibrations