Geometry & MOs

Info

ID:	416692
PubChem CID:	135090121
Reduced:	S2N3O4C16H21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	409.149384
ΔH_f, kcal/mol:	-126.64
Dipole, Da:	7.53
IP(EA), eV:	-9.51(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-methoxy-7-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2)C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations