Geometry & MOs

Info

ID:	363654
PubChem CID:	127311755
Reduced:	S2N3O3C13H25 (1)
Stoich.:	A2B3C3D13E25 (1)
Weight, g/mol:	342.208947
ΔH_f, kcal/mol:	-146.93
Dipole, Da:	4.8
IP(EA), eV:	-8.43(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropanoyl)-N-(2-thiomorpholin-4-ylethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)NCCN2CCSCC2

DOS

IR

Vibrations