Geometry & MOs

Info

ID:

220107

PubChem CID:

85165249

Reduced:

ClNO10C33H46 (1)

Stoich.:

ABC10D33E46 (1)

Weight, g/mol:

651.201525

ΔHf, kcal/mol:

-466.67

Dipole, Da:

5.26

IP(EA), eV:

 -9.67(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(3,4-dichlorophenyl)propyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(C(=O)N2C3C(C(C(OC3OC2=O)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)Cl

DOS

IR

Vibrations