Geometry & MOs

Info

ID:

223004

PubChem CID:

85333831

Reduced:

O9N11C41H77 (1)

Stoich.:

A9B11C41D77 (1)

Weight, g/mol:

871.390476

ΔHf, kcal/mol:

-513.01

Dipole, Da:

7.4

IP(EA), eV:

 -9.37(0.41)

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-phenylpropanoyl]amino]-5-[2-[(1-carboxy-2-phenylethyl)carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCC)C(=O)NC(C(C)CC)C(=O)NC(CCCN=C(N)N)C(=O)NCC)NC(=O)C

DOS

IR

Vibrations