Geometry & MOs

Info

ID:	122278
PubChem CID:	50800742
Reduced:	O2N5H21C23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	457.149384
ΔH_f, kcal/mol:	40.89
Dipole, Da:	3.13
IP(EA), eV:	-9.25(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC2=C3CCCCC3=NC4=NC(=NN24)C5=CC=CC=C5

DOS

IR

Vibrations