Geometry & MOs

Info

ID:

187723

PubChem CID:

77615248

Reduced:

ClSN5O5C25H34 (1)

Stoich.:

ABC5D5E25F34 (1)

Weight, g/mol:

520.287198

ΔHf, kcal/mol:

-166.82

Dipole, Da:

5.57

IP(EA), eV:

 -8.61(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-9-methyl-10-thia-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1S(=O)(=O)N2CC3CN(CC3C2)CCC(C4=CC=CC=C4)NC(=O)OC5CCOC5)Cl)C

DOS

IR

Vibrations