Geometry & MOs

Info

ID:

176774

PubChem CID:

76097163

Reduced:

S2N6O9C19H20 (1)

Stoich.:

A2B6C9D19E20 (1)

Weight, g/mol:

735.27267

ΔHf, kcal/mol:

-251.62

Dipole, Da:

8.34

IP(EA), eV:

 -9.5(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-amino-3-(3-carbamimidoylphenyl)-2-naphthalen-2-ylsulfonylpropanoyl]-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]amino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)N)C3=CSC(=N3)N)SC1)C(=O)O

DOS

IR

Vibrations