Geometry & MOs

Info

ID:	393204
PubChem CID:	135019727
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	514.232853
ΔH_f, kcal/mol:	23.22
Dipole, Da:	3.82
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridin-2-yl]pyridin-3-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)NC2=C(N=CC=C2)C3=C(C=CC=N3)N

DOS

IR

Vibrations