Geometry & MOs

Info

ID:	33378
PubChem CID:	7886144
Reduced:	N2O2S2C21H22 (1)
Stoich.:	A2B2C2D21E22 (1)
Weight, g/mol:	389.100954
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	5.18
IP(EA), eV:	-8.63(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CSC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC=C

DOS

IR

Vibrations