Geometry & MOs

Info

ID:	315528
PubChem CID:	126627379
Reduced:	N2O7C17H24 (1)
Stoich.:	A2B7C17D24 (1)
Weight, g/mol:	461.247855
ΔH_f, kcal/mol:	-269.94
Dipole, Da:	4.85
IP(EA), eV:	-8.55(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-pyridin-2-ylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](C(=O)NCC1=CC(=C(C(=C1)OC)OC)OC)NC=O)C(=O)O

DOS

IR

Vibrations