Geometry & MOs

Info

ID:	236851
PubChem CID:	92715007
Reduced:	SN4O5C22H30 (1)
Stoich.:	AB4C5D22E30 (1)
Weight, g/mol:	497.219572
ΔH_f, kcal/mol:	-189.99
Dipole, Da:	9.13
IP(EA), eV:	-9.25(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3S)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CN=CC=C3)C)C)C

DOS

IR

Vibrations