Geometry & MOs

Info

ID:

214973

PubChem CID:

85083941

Reduced:

S2N5O8C30H35 (1)

Stoich.:

A2B5C8D30E35 (1)

Weight, g/mol:

657.432616

ΔHf, kcal/mol:

-203.49

Dipole, Da:

2.8

IP(EA), eV:

 -8.33(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCN(CC)CC1(C(=O)C2=C(C(C3(N2CC4C3N4C(=O)C)OC)COC(=O)N)C(=O)C15OCCO5)SC6=NC7=CC=CC=C7S6

DOS

IR

Vibrations