Geometry & MOs

Info

ID:	138278
PubChem CID:	52338473
Reduced:	BrSO2N4H13C15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	16.69
Dipole, Da:	5.05
IP(EA), eV:	-8.48(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC2=C1NN=C2)C(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations