Geometry & MOs

Info

ID:	474
PubChem CID:	2811
Reduced:	ClOSN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	318.059362
ΔH_f, kcal/mol:	10.67
Dipole, Da:	5.13
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C

DOS

IR

Vibrations