Geometry & MOs

Info

ID:	323529
PubChem CID:	126675238
Reduced:	SO3N5H25C26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	-17.84
Dipole, Da:	3.88
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2E)-4-formyl-2-[[(3-methoxyphenyl)methyl-methylamino]methylidene]-5-(methylamino)-5-oxopent-3-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SN2C=CC3=C2C=CN=C3CN4C=C(C=C(C4=O)C(=O)NC)C(=O)NC5CC5

DOS

IR

Vibrations