Geometry & MOs

Info

ID:

169218

PubChem CID:

75076280

Reduced:

NC17H17 (1)

Stoich.:

AB17C17 (1)

Weight, g/mol:

1052.446611

ΔHf, kcal/mol:

56.15

Dipole, Da:

2.06

IP(EA), eV:

 -8.19(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-amino-2-[[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C=CC3=CC=CC=C3

DOS

IR

Vibrations