Geometry & MOs

Info

ID:	233596
PubChem CID:	91145563
Reduced:	ClFO4N6C24H31 (1)
Stoich.:	ABC4D6E24F31 (1)
Weight, g/mol:	371.119129
ΔH_f, kcal/mol:	-157.88
Dipole, Da:	4.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775051
Charge, e:	0

Chem-info

IUPAC name:

1'-(cyclopropylmethyl)-5'-[hydroxy(thiophen-3-yl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC1(CC(CC2(N1CC3=C[N+](=NN32)CCCC(=O)OC)C)NC(=O)C(=O)NC4=CC(=C(C=C4)Cl)F)C

DOS

IR

Vibrations