Geometry & MOs

Info

ID:	167716
PubChem CID:	74861784
Reduced:	O2S2N5H17C18 (1)
Stoich.:	A2B2C5D17E18 (1)
Weight, g/mol:	423.143035
ΔH_f, kcal/mol:	12.43
Dipole, Da:	5.44
IP(EA), eV:	-8.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-ethoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NN=C3N(C4=CC=CC=C4S3)C)C

DOS

IR

Vibrations