Geometry & MOs

Info

ID:	188234
PubChem CID:	77686682
Reduced:	OSN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	38.69
Dipole, Da:	4.83
IP(EA), eV:	-9.18(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[5-ethyl-6-methyl-2-(5-oxothiophen-2-ylidene)-5H-pyrimidin-4-yl]amino]phenyl]acetate

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1CC=C)C2=CC=CS2

DOS

IR

Vibrations