Geometry & MOs

Info

ID:

168444

PubChem CID:

74968466

Reduced:

N3O4C22H33 (1)

Stoich.:

A3B4C22D33 (1)

Weight, g/mol:

1439.819512

ΔHf, kcal/mol:

-139.7

Dipole, Da:

1.57

IP(EA), eV:

-9.36(0.31)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[2-[2-[2-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)C(C)(CC=C)C(=O)NO

DOS

IR

Vibrations