Geometry & MOs

Info

ID:

190917

PubChem CID:

78076274

Reduced:

N17O18C65H99 (1)

Stoich.:

A17B18C65D99 (1)

Weight, g/mol:

1092.498858

ΔHf, kcal/mol:

-825.01

Dipole, Da:

8.74

IP(EA), eV:

 -8.85(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[2-[[1-[[2-amino-3-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-(2,4-dinitrophenyl)-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-[2-(7-methoxy-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N

DOS

IR

Vibrations