Geometry & MOs

Info

ID:	33308
PubChem CID:	7885891
Reduced:	ClSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-27.69
Dipole, Da:	4.69
IP(EA), eV:	-8.96(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-butan-2-yl]phenyl]-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

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations