Geometry & MOs

Info

ID:

214443

PubChem CID:

85083042

Reduced:

O2C18H19 (2)

Stoich.:

A2B18C19 (2)

Weight, g/mol:

534.298825

ΔHf, kcal/mol:

-87.7

Dipole, Da:

2.91

IP(EA), eV:

 -8.28(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-amino-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]pentanoyl]-N-cyclohexylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(C2(C1)OC3=C(C(=CC=C3)OCC4=CC=CC=C4)C5=C(O2)C=CC=C5OCC6=CC=CC=C6)C(C)C

DOS

IR

Vibrations