Geometry & MOs

Info

ID:

186128

PubChem CID:

77393712

Reduced:

O7N8C42H52 (1)

Stoich.:

A7B8C42D52 (1)

Weight, g/mol:

501.133473

ΔHf, kcal/mol:

-225.14

Dipole, Da:

2.82

IP(EA), eV:

 -8.74(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-amino-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutan-2-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)C6CN=C(N6)C7C8CCC(C8)N7C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations