Geometry & MOs

Info

ID:

17711

PubChem CID:

514034

Reduced:

FSO5N6C33H41 (1)

Stoich.:

ABC5D6E33F41 (1)

Weight, g/mol:

652.284318

ΔHf, kcal/mol:

-190.87

Dipole, Da:

7.62

IP(EA), eV:

 -8.82(-0.73)

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]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN([C@@H](CCCCNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)C3=CN=CN3)CO)S(=O)(=O)C4=CC(=C(C=C4)F)N

DOS

IR

Vibrations