Geometry & MOs

Info

ID:

224780

PubChem CID:

85352404

Reduced:

NO5C23H31 (2)

Stoich.:

AB5C23D31 (2)

Weight, g/mol:

1061.470577

ΔHf, kcal/mol:

-389.08

Dipole, Da:

9.23

IP(EA), eV:

 -9.0(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC#CCC4=CC=C(C=C4)C5=CC=CC=C5)C)C)NC(=O)O2)C

DOS

IR

Vibrations