Geometry & MOs

Info

ID:

223242

PubChem CID:

85334737

Reduced:

SN15O17C62H101 (1)

Stoich.:

AB15C17D62E101 (1)

Weight, g/mol:

1360.928226

ΔHf, kcal/mol:

-814.24

Dipole, Da:

6.83

IP(EA), eV:

 -8.65(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[[4-methyl-2-[[4-methyl-2-[[2-(pentadecylamino)acetyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)NC(=O)C(C(C)O)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C4CCCN4C(=O)C(C(C)O)N

DOS

IR

Vibrations