Geometry & MOs

Info

ID:	122281
PubChem CID:	50801107
Reduced:	O3N5C26H35 (1)
Stoich.:	A3B5C26D35 (1)
Weight, g/mol:	411.143905
ΔH_f, kcal/mol:	-79.89
Dipole, Da:	5.2
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C(=NCCC2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations