Geometry & MOs

Info

ID:	151666
PubChem CID:	56261040
Reduced:	BrSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	279.138992
ΔH_f, kcal/mol:	31.41
Dipole, Da:	5.22
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methylhexanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Br

DOS

IR

Vibrations