Geometry & MOs

Info

ID:	368941
PubChem CID:	127330960
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	6.15
IP(EA), eV:	-8.55(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzoyl-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)NC2=NC3=C(S2)COCC3

DOS

IR

Vibrations