Geometry & MOs

Info

ID:	169051
PubChem CID:	75059346
Reduced:	O4N5C31H35 (1)
Stoich.:	A4B5C31D35 (1)
Weight, g/mol:	573.24009
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	4.1
IP(EA), eV:	-8.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Drug info:

PubChemData

Smile

C[NH+]1CC[NH+](CC1)CC(=O)N(C)C2=CC=C(C=C2)NC(=C3C4=C(C=C(C=C4)C(=O)OC)NC3=O)C5=CC=CC=C5

DOS

IR

Vibrations