Geometry & MOs

Info

ID:	192310
PubChem CID:	78255250
Reduced:	BrNO4C23H26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	401.107709
ΔH_f, kcal/mol:	-132.85
Dipole, Da:	5.19
IP(EA), eV:	-9.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-chlorophenyl)-3-ethyl-13-methyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,10(15)-trien-8-one

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=CC=C4)Br)CC5CCCO5

DOS

IR

Vibrations