Geometry & MOs

Info

ID:	330581
PubChem CID:	127247988
Reduced:	SO3N5C14H25 (1)
Stoich.:	AB3C5D14E25 (1)
Weight, g/mol:	347.187878
ΔH_f, kcal/mol:	-82.06
Dipole, Da:	2.86
IP(EA), eV:	-8.72(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-methylsulfonyl-4-(oxan-4-ylmethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CN2CCN(CC(C2)C(=O)N(C)C)S(=O)(=O)C

DOS

IR

Vibrations