Geometry & MOs

Info

ID:	152395
PubChem CID:	56311313
Reduced:	SN3O5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	-158.75
Dipole, Da:	6.07
IP(EA), eV:	-8.57(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCOC2=CC=C(C=C2)S(=O)(=O)N(C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations