Geometry & MOs

Info

ID:	139515
PubChem CID:	52545512
Reduced:	S2N3O4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	436.012239
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	3.98
IP(EA), eV:	-9.18(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)C

DOS

IR

Vibrations