Geometry & MOs

Info

ID:

17709

PubChem CID:

514010

Reduced:

FSN4O5C36H49 (1)

Stoich.:

ABC4D5E36F49 (1)

Weight, g/mol:

668.34077

ΔHf, kcal/mol:

-252.31

Dipole, Da:

6.77

IP(EA), eV:

 -8.76(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[(5S)-5-[(3-amino-4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC(C)CN([C@@H](CCCCNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)C3CCCCC3)CO)S(=O)(=O)C4=CC(=C(C=C4)F)N

DOS

IR

Vibrations