Geometry & MOs

Info

ID:	422138
PubChem CID:	135117277
Reduced:	S2O3N4C18H22 (1)
Stoich.:	A2B3C4D18E22 (1)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	-70.16
Dipole, Da:	6.31
IP(EA), eV:	-9.51(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[10-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)S(=O)(=O)C4=CSC(=C4)C(=O)NC

DOS

IR

Vibrations