Geometry & MOs

Info

ID:	191870
PubChem CID:	78195796
Reduced:	NPO9C10H22 (1)
Stoich.:	ABC9D10E22 (1)
Weight, g/mol:	497.232599
ΔH_f, kcal/mol:	-496.7
Dipole, Da:	6.2
IP(EA), eV:	-9.96(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-1-[(4-fluorophenyl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOP(=O)(O)OCC(C(C(C(CO)NC(=O)C)O)O)O

DOS

IR

Vibrations