Geometry & MOs

Info

ID:	330540
PubChem CID:	127247947
Reduced:	SN4O5C13H24 (1)
Stoich.:	AB4C5D13E24 (1)
Weight, g/mol:	349.175004
ΔH_f, kcal/mol:	-211.89
Dipole, Da:	4.76
IP(EA), eV:	-9.55(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-4-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations