Geometry & MOs

Info

ID:	61039
PubChem CID:	26704607
Reduced:	ClFO3N4C22H22 (1)
Stoich.:	ABC3D4E22F22 (1)
Weight, g/mol:	459.22704
ΔH_f, kcal/mol:	-134.15
Dipole, Da:	4.63
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylindol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations