Geometry & MOs

Info

ID:	419372
PubChem CID:	135108054
Reduced:	N4O5C20H32 (1)
Stoich.:	A4B5C20D32 (1)
Weight, g/mol:	327.136511
ΔH_f, kcal/mol:	-209.22
Dipole, Da:	5.82
IP(EA), eV:	-9.51(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOCC(=O)N1CCC2(CC1)[C@H]([C@](CCO2)(C)NC(=O)C3=CN(N=C3C)C)O

DOS

IR

Vibrations