Geometry & MOs

Info

ID:

219997

PubChem CID:

85165126

Reduced:

O7N9C30H31 (1)

Stoich.:

A7B9C30D31 (1)

Weight, g/mol:

629.24005

ΔHf, kcal/mol:

-167.0

Dipole, Da:

8.28

IP(EA), eV:

 -9.02(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[3,4-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfonylamino]pyrrolidin-1-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)C(=O)NCCCC(C(=O)OC)NC(=O)C2=CC=C(C=C2)N(CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C=O

DOS

IR

Vibrations