Geometry & MOs

Info

ID:	39072
PubChem CID:	8139634
Reduced:	OSN2C20H26 (1)
Stoich.:	ABC2D20E26 (1)
Weight, g/mol:	420.0871
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	5.17
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations