Geometry & MOs

Info

ID:	140089
PubChem CID:	52644562
Reduced:	OSN5C21H21 (1)
Stoich.:	ABC5D21E21 (1)
Weight, g/mol:	429.078814
ΔH_f, kcal/mol:	69.01
Dipole, Da:	6.07
IP(EA), eV:	-8.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-[4-(4-chlorophenyl)butanoylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)CSC3=NC=NC4=C3C=NN4C)C

DOS

IR

Vibrations