Geometry & MOs

Info

ID:	195078
PubChem CID:	78630699
Reduced:	SN4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	408.01433
ΔH_f, kcal/mol:	35.25
Dipole, Da:	7.54
IP(EA), eV:	-8.21(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=S)NN=C(C)C1=CC=C(C=C1)N

DOS

IR

Vibrations