Geometry & MOs

Info

ID:	230435
PubChem CID:	87570895
Reduced:	SN4O5C19H28 (1)
Stoich.:	AB4C5D19E28 (1)
Weight, g/mol:	373.124883
ΔH_f, kcal/mol:	-150.97
Dipole, Da:	2.88
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-spiro[chromene-2,1'-cyclobutane]-4-ylthiourea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NN1C=CSC1C2=CN=C(C=C2)CONC(=O)OC(C)(C)C

DOS

IR

Vibrations