Geometry & MOs

Info

ID:

164105

PubChem CID:

74382017

Reduced:

FN4O4C21H21 (1)

Stoich.:

AB4C4D21E21 (1)

Weight, g/mol:

955.581465

ΔHf, kcal/mol:

-124.37

Dipole, Da:

5.33

IP(EA), eV:

 -9.13(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[5-amino-2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC1N=C(NO1)C2=CC=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=O)C)F

DOS

IR

Vibrations