Geometry & MOs

Info

ID:	151948
PubChem CID:	56310781
Reduced:	FSO3N4C24H33 (1)
Stoich.:	ABC3D4E24F33 (1)
Weight, g/mol:	493.248918
ΔH_f, kcal/mol:	-131.61
Dipole, Da:	5.99
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-3-ethyl-5-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations