Geometry & MOs

Info

ID:	122279
PubChem CID:	50800953
Reduced:	S2N3O3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	431.089282
ΔH_f, kcal/mol:	-36.01
Dipole, Da:	3.63
IP(EA), eV:	-8.28(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3(CCCCCC3)N=C2C4=CC=CS4)OC

DOS

IR

Vibrations