Geometry & MOs

Info

ID:

223043

PubChem CID:

85334190

Reduced:

SN9O14C47H69 (1)

Stoich.:

AB9C14D47E69 (1)

Weight, g/mol:

1026.629812

ΔHf, kcal/mol:

-637.27

Dipole, Da:

14.62

IP(EA), eV:

 -9.13(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[2-[[2-[[2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N

DOS

IR

Vibrations