Geometry & MOs

Info

ID:

219546

PubChem CID:

85149167

Reduced:

N4O7C30H38 (1)

Stoich.:

A4B7C30D38 (1)

Weight, g/mol:

566.317646

ΔHf, kcal/mol:

-286.14

Dipole, Da:

1.4

IP(EA), eV:

 -8.71(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[1-[5-(diaminomethylideneamino)-2-(pyrrolidine-2-carbonylamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations