Geometry & MOs

Info

ID:	54829
PubChem CID:	17389367
Reduced:	BrClSN2O4H20C26 (1)
Stoich.:	ABCD2E4F20G26 (1)
Weight, g/mol:	291.01196
ΔH_f, kcal/mol:	-57.67
Dipole, Da:	4.16
IP(EA), eV:	-9.02(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-bromopenta-1,3-diene-1,1,5,5-tetracarbonitrile;N-methylmethanamine

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)Br)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations