Geometry & MOs

Info

ID:	365880
PubChem CID:	127319130
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	371.141596
ΔH_f, kcal/mol:	-25.07
Dipole, Da:	5.05
IP(EA), eV:	-8.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-(2-pyridin-2-ylsulfanylpyridin-4-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)NC3=CC(=NC=C3)SC4=CC=CC=N4

DOS

IR

Vibrations