Geometry & MOs

Info

ID:

224155

PubChem CID:

85338852

Reduced:

FSO8N9C36H50 (1)

Stoich.:

ABC8D9E36F50 (1)

Weight, g/mol:

796.407917

ΔHf, kcal/mol:

-384.36

Dipole, Da:

4.87

IP(EA), eV:

 -8.86(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-amino-2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)CN)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC3=CC=C(C=C3)F)C(=O)NC(CS)C(=O)N

DOS

IR

Vibrations