Geometry & MOs

Info

ID:	138938
PubChem CID:	52446335
Reduced:	SN3O5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	392.161518
ΔH_f, kcal/mol:	-181.18
Dipole, Da:	4.14
IP(EA), eV:	-8.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CC(=O)NCCN2C(=O)/C(=C\C3=CC(=C(C=C3)OC)OC)/SC2=O

DOS

IR

Vibrations