Geometry & MOs

Info

ID:	330522
PubChem CID:	127247929
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	1.44
IP(EA), eV:	-9.2(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-4-(thiophene-3-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)CC2=CN=CS2

DOS

IR

Vibrations