Geometry & MOs

Info

ID:	144428
PubChem CID:	53367532
Reduced:	SBr2O2N5C24H25 (1)
Stoich.:	AB2C2D5E24F25 (1)
Weight, g/mol:	349.080636
ΔH_f, kcal/mol:	61.79
Dipole, Da:	28.6
IP(EA), eV:	-6.98(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxy-4-propan-2-yloxyphenyl)-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)N/N=C/C3=C(C(=CC(=C3)Br)Br)[O-])C4CCCCC4

DOS

IR

Vibrations