Geometry & MOs

Info

ID:

214984

PubChem CID:

85083958

Reduced:

N9O10C27H51 (1)

Stoich.:

A9B10C27D51 (1)

Weight, g/mol:

661.391145

ΔHf, kcal/mol:

-499.07

Dipole, Da:

8.67

IP(EA), eV:

 -9.3(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-(4-aminophenyl)butanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations