Geometry & MOs

Info

ID:

328358

PubChem CID:

126700812

Reduced:

SN3H27C40 (1)

Stoich.:

AB3C27D40 (1)

Weight, g/mol:

462.181567

ΔHf, kcal/mol:

193.11

Dipole, Da:

4.64

IP(EA), eV:

 -8.37(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-cyclopropyl-2-[[2-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]oxy]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=CC=CC=C4N3C5NC(=CC=N5)C6=CC=CC7=C6SC8=C7C=CC=C8C9=CC=CC=C9

DOS

IR

Vibrations