Geometry & MOs

Info

ID:	188821
PubChem CID:	77770874
Reduced:	N2O6C23H36 (1)
Stoich.:	A2B6C23D36 (1)
Weight, g/mol:	568.253314
ΔH_f, kcal/mol:	-279.85
Dipole, Da:	6.39
IP(EA), eV:	-9.68(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(C(=O)O)N.C1=CC=C(C=C1)CCC(C(=O)O)NCCC(=O)O

DOS

IR

Vibrations