Geometry & MOs

Info

ID:	330577
PubChem CID:	127247984
Reduced:	SO3N5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	329.152161
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	4.9
IP(EA), eV:	-9.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-imidazol-5-ylmethyl)-N,N-dimethyl-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations