Geometry & MOs

Info

ID:

17710

PubChem CID:

514011

Reduced:

FSN4O5C31H41 (1)

Stoich.:

ABC4D5E31F41 (1)

Weight, g/mol:

600.27817

ΔHf, kcal/mol:

-239.55

Dipole, Da:

6.99

IP(EA), eV:

 -9.0(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(5S)-5-[(3-amino-4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-naphthalen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)CN([C@@H](CCCCNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)C)CO)S(=O)(=O)C3=CC(=C(C=C3)F)N

DOS

IR

Vibrations