Geometry & MOs

Info

ID:	49508
PubChem CID:	11533147
Reduced:	BrO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	481.975097
ΔH_f, kcal/mol:	-34.21
Dipole, Da:	5.28
IP(EA), eV:	-8.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-bis[(4-chlorophenyl)methylsulfanyl]-2-methylsulfanylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)CN1C2=C(C=C(C=C2)Br)C3=C1C4=CC=CC=C4NC(=O)C3

DOS

IR

Vibrations