Geometry & MOs

Info

ID:	55757
PubChem CID:	17396438
Reduced:	OSN4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	338.148656
ΔH_f, kcal/mol:	47.33
Dipole, Da:	4.39
IP(EA), eV:	-9.23(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(1,3-dithiolan-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NC=CN=C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations