Geometry & MOs

Info

ID:	415003
PubChem CID:	135087983
Reduced:	NS2O3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	325.157246
ΔH_f, kcal/mol:	-129.69
Dipole, Da:	5.38
IP(EA), eV:	-9.09(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpyrimidin-4-yl)-4-pyrrolidin-1-ylsulfonyl-1,4-diazepane

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)S(=O)(=O)N2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations