Geometry & MOs

Info

ID:

214883

PubChem CID:

85083797

Reduced:

SO4N8C32H40 (1)

Stoich.:

AB4C8D32E40 (1)

Weight, g/mol:

632.393771

ΔHf, kcal/mol:

-93.84

Dipole, Da:

6.51

IP(EA), eV:

 -9.32(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[4-[cyclohexanecarbonyl(ethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-(2-oxopyrrolidin-1-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C3=CC=NC=C3

DOS

IR

Vibrations