Geometry & MOs

Info

ID:	68668
PubChem CID:	46508867
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	485.15966
ΔH_f, kcal/mol:	11.4
Dipole, Da:	2.58
IP(EA), eV:	-8.09(-0.85)
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-[1-(2,4-dichlorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)CN(CC3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations