Geometry & MOs

Info

ID:	121089
PubChem CID:	50755394
Reduced:	ClN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	401.094247
ΔH_f, kcal/mol:	-157.11
Dipole, Da:	8.83
IP(EA), eV:	-9.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)CN1C(=O)C=CN(C1=O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations