Geometry & MOs

Info

ID:	152082
PubChem CID:	56310936
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	482.216535
ΔH_f, kcal/mol:	-14.96
Dipole, Da:	4.03
IP(EA), eV:	-8.4(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(furan-2-yl)-6-[[4-(4-methoxycarbonylphenyl)-2-methylpiperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCCC2=NC(=NO2)C3=CC=CS3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations