Geometry & MOs

Info

ID:	146410
PubChem CID:	53684982
Reduced:	N7H16C18 (1)
Stoich.:	A7B16C18 (1)
Weight, g/mol:	564.2584
ΔH_f, kcal/mol:	273.55
Dipole, Da:	10.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993355
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-1-[(2S)-1-[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[N+](C2=CC=CC=C2)(C3=CC=CC=C3)N=NN=NN=N

DOS

IR

Vibrations