Geometry & MOs

Info

ID:

163804

PubChem CID:

74380481

Reduced:

O14N15C39H71 (1)

Stoich.:

A14B15C39D71 (1)

Weight, g/mol:

988.566543

ΔHf, kcal/mol:

-687.87

Dipole, Da:

8.05

IP(EA), eV:

 -9.46(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations