Geometry & MOs

Info

ID:	193542
PubChem CID:	78404907
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	342.98125
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	12.38
IP(EA), eV:	-8.25(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromothiophen-2-yl)-1,3,4,4a,5,6,7,8-octahydropyrimido[4,5-b]azepine-2-thione

Drug info:

PubChemData

Smile

COCCCN1C(=C2C(=C3C=CC=CC3=O)NN=C2C1=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations