Geometry & MOs

Info

ID:	206916
PubChem CID:	80321599
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-83.77
Dipole, Da:	1.22
IP(EA), eV:	-9.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-propyl-1-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CN2CCC(=O)NC(C2=O)C(C)C)C

DOS

IR

Vibrations