Geometry & MOs

Info

ID:	416028
PubChem CID:	135089033
Reduced:	SN3O5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-132.08
Dipole, Da:	5.48
IP(EA), eV:	-9.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxypyridin-4-yl)-[4-(oxan-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations