Geometry & MOs

Info

ID:	435048
PubChem CID:	135178696
Reduced:	ON2H18C22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	69.27
Dipole, Da:	1.22
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[3-[[[(3E)-6-methylhepta-1,3,5-trien-3-yl]amino]methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-5-oxopentanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=CNC(N2)C3=CC4=C(C=C3)C5=CC=CC=C5O4

DOS

IR

Vibrations