Geometry & MOs

Info

ID:

181526

PubChem CID:

76756209

Reduced:

NO5C29H47 (1)

Stoich.:

AB5C29D47 (1)

Weight, g/mol:

1297.830135

ΔHf, kcal/mol:

-218.35

Dipole, Da:

0.49

IP(EA), eV:

 -9.38(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(carbamoylamino)-1-[4-[3-[[3-[1-[4-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-4-hydroxy-2-methylbutanoyl]amino]-2-oxo-4-phenylbutyl]anilino]-1-oxopentan-2-yl]-9-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanamide

Drug info:

PubChemData

Smile

CC1(C2C1C3C(=O)CC(CCCCCCCCCCC(C(=O)N3C2)CC(=O)OC(C)(C)C)C=O)C

DOS

IR

Vibrations