Geometry & MOs

Info

ID:	330578
PubChem CID:	127247985
Reduced:	SO3N5C13H23 (1)
Stoich.:	AB3C5D13E23 (1)
Weight, g/mol:	341.152161
ΔH_f, kcal/mol:	-100.23
Dipole, Da:	5.26
IP(EA), eV:	-8.92(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CN(CCN(C1)S(=O)(=O)C)CC2=CN=CN2

DOS

IR

Vibrations