Geometry & MOs

Info

ID:	149308
PubChem CID:	53788980
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	507.259403
ΔH_f, kcal/mol:	-205.31
Dipole, Da:	2.61
IP(EA), eV:	-8.96(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1CN)CC(CC(=O)OC)C(=O)OC

DOS

IR

Vibrations