Geometry & MOs

Info

ID:

335762

PubChem CID:

127254624

Reduced:

ON7C19H27 (1)

Stoich.:

AB7C19D27 (1)

Weight, g/mol:

642.05997

ΔHf, kcal/mol:

45.49

Dipole, Da:

8.14

IP(EA), eV:

 -9.44(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9Z)-3-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)[C@H]([C@@H](C)CC)N3C=NN=N3

DOS

IR

Vibrations