Geometry & MOs

Info

ID:	128635
PubChem CID:	51052803
Reduced:	N3O5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-129.22
Dipole, Da:	6.09
IP(EA), eV:	-8.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=COC(=CC3=O)CN4CCOCC4

DOS

IR

Vibrations