Geometry & MOs

Info

ID:	433401
PubChem CID:	135173538
Reduced:	N2O6H14C15 (1)
Stoich.:	A2B6C14D15 (1)
Weight, g/mol:	504.248504
ΔH_f, kcal/mol:	-202.3
Dipole, Da:	4.35
IP(EA), eV:	-10.2(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[hydroxy-[[4-(2H-triazol-4-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CCC(=O)NC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)OCC=O

DOS

IR

Vibrations