Geometry & MOs

Info

ID:	68976
PubChem CID:	46514491
Reduced:	FSN3O3H18C26 (1)
Stoich.:	ABC3D3E18F26 (1)
Weight, g/mol:	482.191383
ΔH_f, kcal/mol:	-37.2
Dipole, Da:	4.39
IP(EA), eV:	-8.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3-(2-nitroanilino)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)NNC(=O)C4=CC=C(S4)C5=CC=C(C=C5)F

DOS

IR

Vibrations