Geometry & MOs

Info

ID:	360199
PubChem CID:	127300842
Reduced:	SO2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	375.118753
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	5.24
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN=C1C)C(=O)N2CCCN(CC2)CC3=CSC(=N3)C

DOS

IR

Vibrations