Geometry & MOs

Info

ID:	243269
PubChem CID:	99218129
Reduced:	BrOSN4C21H25 (1)
Stoich.:	ABCD4E21F25 (1)
Weight, g/mol:	422.06636
ΔH_f, kcal/mol:	34.87
Dipole, Da:	4.04
IP(EA), eV:	-8.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=NC(=CS2)CC(=O)N(CCN(C)C)C3=CC(=CC=C3)Br)C

DOS

IR

Vibrations