Geometry & MOs

Info

ID:	14908
PubChem CID:	423977
Reduced:	BrCl2O2N4H17C20 (1)
Stoich.:	AB2C2D4E17F20 (1)
Weight, g/mol:	493.99119
ΔH_f, kcal/mol:	-30.69
Dipole, Da:	11.34
IP(EA), eV:	-9.17(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[2-amino-5-(3,4-dichlorophenyl)-4-oxo-1H-pyrimidin-6-yl]ethyl]phenyl]-2-bromoacetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC2=C(C(=O)N=C(N2)N)C3=CC(=C(C=C3)Cl)Cl)NC(=O)CBr

DOS

IR

Vibrations