Geometry & MOs

Info

ID:	61766
PubChem CID:	26712668
Reduced:	BrSN2O2C16H17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-32.85
Dipole, Da:	5.85
IP(EA), eV:	-9.16(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations