Geometry & MOs

Info

ID:	234525
PubChem CID:	92298610
Reduced:	FO2N4H31C34 (1)
Stoich.:	AB2C4D31E34 (1)
Weight, g/mol:	546.243104
ΔH_f, kcal/mol:	-21.43
Dipole, Da:	3.57
IP(EA), eV:	-9.06(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-phenyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@H](C2=CC=C(C=C2)F)N(C3=CC4=CC=CC=C4N=C3)C(=O)C5=CC=C(N5)C6=CC=CC=C6

DOS

IR

Vibrations