Geometry & MOs

Info

ID:	152499
PubChem CID:	56311438
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	492.23727
ΔH_f, kcal/mol:	-167.26
Dipole, Da:	5.14
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations