Geometry & MOs

Info

ID:

188796

PubChem CID:

77767735

Reduced:

PN2O9C36H47 (1)

Stoich.:

AB2C9D36E47 (1)

Weight, g/mol:

518.231139

ΔHf, kcal/mol:

-458.77

Dipole, Da:

4.9

IP(EA), eV:

 -9.31(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(diaminomethylideneamino)butyl-naphthalen-2-ylsulfonylamino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)CC(CC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)C(=O)NC3C(CC4=CC=CC=C34)O)OP(=O)(O)O

DOS

IR

Vibrations