Geometry & MOs

Info

ID:

323200

PubChem CID:

126673537

Reduced:

SF3N4O5H35C36 (1)

Stoich.:

AB3C4D5E35F36 (1)

Weight, g/mol:

672.27817

ΔHf, kcal/mol:

-217.06

Dipole, Da:

6.85

IP(EA), eV:

 -8.32(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[(5S)-6-(3,4-dimethoxy-N-methylanilino)-5-[[(4-fluoroanilino)-sulfanylmethyl]amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CN(CCC(=O)O)C1=CC=C(C=C1)C2=CC(=C(C(=C2)F)CSC3=NC(=C(N3)C4=CC(=C(C=C4)F)OC)N(C)C5=CC(=C(C=C5)OC)OC)F

DOS

IR

Vibrations