Geometry & MOs

Info

ID:	419787
PubChem CID:	135109060
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	-28.45
Dipole, Da:	3.93
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxypyridin-4-yl)-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC=C(O2)CSC

DOS

IR

Vibrations