Geometry & MOs

Info

ID:	62375
PubChem CID:	26719649
Reduced:	SCl2O2N3H13C17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	497.15966
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	10.28
IP(EA), eV:	-8.86(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3,4-dichlorophenyl)-N'-(2-methylpropyl)butanediamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations