Geometry & MOs

Info

ID:	330579
PubChem CID:	127247986
Reduced:	SO3N5C14H23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	343.167811
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	6.06
IP(EA), eV:	-9.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CN(CCN(C1)S(=O)(=O)C)CC2=CN=CN=C2

DOS

IR

Vibrations