Geometry & MOs

Info

ID:	424714
PubChem CID:	135123688
Reduced:	ClSO4N5C30H40 (1)
Stoich.:	ABC4D5E30F40 (1)
Weight, g/mol:	315.121906
ΔH_f, kcal/mol:	-95.39
Dipole, Da:	5.48
IP(EA), eV:	-8.22(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-3-(dimethylamino)prop-2-enoyl]-7-nitrospiro[1H-indole-3,1'-cyclobutane]-2-one

Drug info:

PubChemData

Smile

CCC1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)C(CCC4=CN(N=N4)C5CCC5)C(C)(C)C(=O)N)Cl

DOS

IR

Vibrations