Geometry & MOs

Info

ID:	330466
PubChem CID:	127247873
Reduced:	S2O3N4C12H20 (1)
Stoich.:	A2B3C4D12E20 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-95.38
Dipole, Da:	5.6
IP(EA), eV:	-9.16(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-dimethylphenyl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCN(CC(C2)C(=O)N)S(=O)(=O)C

DOS

IR

Vibrations