Geometry & MOs

Info

ID:	175313
PubChem CID:	75881711
Reduced:	BrSN2O2C17H21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	359.179324
ΔH_f, kcal/mol:	-8.75
Dipole, Da:	1.33
IP(EA), eV:	-8.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[3-(2-methoxyphenyl)prop-2-enoylamino]-1-thiophen-3-ylethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)C=CC1=CC=C(O1)Br)C2=CSC=C2

DOS

IR

Vibrations