Geometry & MOs

Info

ID:	152928
PubChem CID:	56312022
Reduced:	SN3O4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	11.31
IP(EA), eV:	-9.39(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations