Geometry & MOs

Info

ID:

134

PubChem CID:

2167

Reduced:

SN6O8C35H46 (1)

Stoich.:

AB6C8D35E46 (1)

Weight, g/mol:

710.309784

ΔHf, kcal/mol:

-333.9

Dipole, Da:

9.95

IP(EA), eV:

 -8.6(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations