Geometry & MOs

Info

ID:	185101
PubChem CID:	77255649
Reduced:	S2F3N5O5C23H24 (1)
Stoich.:	A2B3C5D5E23F24 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	-279.78
Dipole, Da:	7.32
IP(EA), eV:	-9.54(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-[2-[(1-methylpyrrole-2-carbonyl)amino]phenyl]butan-2-yl]cinnoline-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1)NC2=NC=CC(=N2)C(F)(F)F)C3=CN=C(S3)C4(CCCN(CC4)C(=O)CO)O

DOS

IR

Vibrations