Geometry & MOs

Info

ID:	153192
PubChem CID:	56312344
Reduced:	SN4O5C23H30 (1)
Stoich.:	AB4C5D23E30 (1)
Weight, g/mol:	416.20597
ΔH_f, kcal/mol:	-171.58
Dipole, Da:	9.74
IP(EA), eV:	-8.58(-0.6)
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-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations