Geometry & MOs

Info

ID:	442839
PubChem CID:	135256523
Reduced:	BrClFN4O4C32H33 (1)
Stoich.:	ABCD4E4F32G33 (1)
Weight, g/mol:	384.0871
ΔH_f, kcal/mol:	-161.77
Dipole, Da:	10.3
IP(EA), eV:	-9.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromo-5,6,7,8-tetrahydroquinolin-2-yl)but-3-enyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC3=C(CCC3)C(=C2)C4=C(C=C(C=C4)NC(=O)OC)NC1=O)NCCC(=O)C5=C(C=CC(=C5F)Cl)Br

DOS

IR

Vibrations