Geometry & MOs

Info

ID:	183878
PubChem CID:	77084573
Reduced:	O3N6C17H22 (1)
Stoich.:	A3B6C17D22 (1)
Weight, g/mol:	380.097683
ΔH_f, kcal/mol:	-90.33
Dipole, Da:	3.58
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylimidazol-2-yl)methyl]-3-thiomorpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)N2CCN(CC2)C(=O)CCN3C=CC(=O)NC3=O)C

DOS

IR

Vibrations