Geometry & MOs

Info

ID:	61436
PubChem CID:	26709397
Reduced:	S2N3O4C22H23 (1)
Stoich.:	A2B3C4D22E23 (1)
Weight, g/mol:	406.234196
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	5.15
IP(EA), eV:	-8.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(2,3,4-trimethoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations