Geometry & MOs

Info

ID:	419242
PubChem CID:	135107817
Reduced:	SO2N5C20H27 (1)
Stoich.:	AB2C5D20E27 (1)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	-31.05
Dipole, Da:	5.01
IP(EA), eV:	-9.16(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1CCC(=O)N2[C@@H]3CC[C@H]2[C@@](C3)(CC4=CSC=N4)C(=O)NC)C

DOS

IR

Vibrations