Geometry & MOs

Info

ID:	327138
PubChem CID:	126689076
Reduced:	ClO2N3H16C22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	463.215887
ΔH_f, kcal/mol:	99.15
Dipole, Da:	2.88
IP(EA), eV:	-8.92(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-hydroxypyrrolidin-2-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2/C=C/C4=C(C=CC(=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations