Geometry & MOs

Info

ID:

234373

PubChem CID:

92298287

Reduced:

SO4N6C27H30 (1)

Stoich.:

AB4C6D27E30 (1)

Weight, g/mol:

541.179518

ΔHf, kcal/mol:

-91.34

Dipole, Da:

2.11

IP(EA), eV:

 -8.49(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-N-[(1S)-1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)[C@H](C1=CNC2=CC=CC=C21)N(C3=CC(=CC=C3)OC)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations