Geometry & MOs

Info

ID:	447122
PubChem CID:	135280454
Reduced:	ClN4O4C23H29 (1)
Stoich.:	AB4C4D23E29 (1)
Weight, g/mol:	381.14887
ΔH_f, kcal/mol:	-148.2
Dipole, Da:	4.16
IP(EA), eV:	-9.21(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4Z)-6-[3-fluoro-N-(pyridine-4-carbonyl)anilino]-2-methyl-5-(methylideneamino)hexa-2,4-dienoate

Drug info:

PubChemData

Smile

CCN(C1CCN(C1)C(=O)OC(C)(C)C)C2=CC(=CC(=C2C)C(=O)O)C3=CC(=NC=N3)Cl

DOS

IR

Vibrations