Geometry & MOs

Info

ID:	83935
PubChem CID:	49862648
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	397.12269
ΔH_f, kcal/mol:	-81.89
Dipole, Da:	2.24
IP(EA), eV:	-9.47(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-(4-chlorophenyl)ethyl]-4-(2-methoxy-2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=C(C=C1)C2=NOC(=N2)CCC3CCCC3)NC(=O)[C@@H]4[C@H](CCN4)O

DOS

IR

Vibrations