Geometry & MOs

Info

ID:	139622
PubChem CID:	52572182
Reduced:	FON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	458.151158
ΔH_f, kcal/mol:	-17.49
Dipole, Da:	1.93
IP(EA), eV:	-8.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 5-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCCN(C)CC3=CC=CC=C3

DOS

IR

Vibrations