Geometry & MOs

Info

ID:	403251
PubChem CID:	135059384
Reduced:	BrNSO2C26H42 (1)
Stoich.:	ABCD2E26F42 (1)
Weight, g/mol:	498.306641
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	5.83
IP(EA), eV:	-9.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-quinolin-8-yl-6-[6-tri(propan-2-yl)silylhex-5-ynyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2CCCC2[C@H](C3CCCCC3)Br)C(C)C

DOS

IR

Vibrations