Geometry & MOs

Info

ID:	141000
PubChem CID:	52798741
Reduced:	ClS2N3O3C21H29 (1)
Stoich.:	AB2C3D3E21F29 (1)
Weight, g/mol:	459.22704
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	14.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.877542
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=CC(=CC=C1)C[NH+]2CCCCCC2)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations