Geometry & MOs

Info

ID:

215432

PubChem CID:

85084725

Reduced:

SN12O17C32H52 (1)

Stoich.:

AB12C17D32E52 (1)

Weight, g/mol:

908.366446

ΔHf, kcal/mol:

-769.26

Dipole, Da:

15.92

IP(EA), eV:

 -8.68(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[4-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(1-carboxyethylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(CS)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations