Geometry & MOs

Info

ID:	192072
PubChem CID:	78223133
Reduced:	FN4O4H18C19 (1)
Stoich.:	AB4C4D18E19 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	-101.85
Dipole, Da:	4.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809735
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(dimethylamino)phenyl]methylidene]spiro[2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazine-3,1'-cyclohexane]-6-one

Drug info:

PubChemData

Smile

CN1C2=NC(=[N+](C2C(=O)N(C1=O)CC3=CC=C(C=C3)F)C)OCC4=CC=CO4

DOS

IR

Vibrations