Geometry & MOs

Info

ID:	68672
PubChem CID:	46508876
Reduced:	ClFO4N5C19H25 (1)
Stoich.:	ABC4D5E19F25 (1)
Weight, g/mol:	431.253255
ΔH_f, kcal/mol:	-203.66
Dipole, Da:	5.0
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-methyl-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)CC(=O)NC2=C(C=CC(=C2)Cl)F)N

DOS

IR

Vibrations