Geometry & MOs

Info

ID:

1201

PubChem CID:

3980

Reduced:

O11N18C40H78 (1)

Stoich.:

A11B18C40D78 (1)

Weight, g/mol:

986.609745

ΔHf, kcal/mol:

-535.49

Dipole, Da:

0.74

IP(EA), eV:

 -9.18(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-diamino-N-[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]hexanamide

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CO)C(=O)N)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N)O

DOS

IR

Vibrations