Geometry & MOs

Info

ID:	236850
PubChem CID:	92715002
Reduced:	S2N4O5C20H28 (1)
Stoich.:	A2B4C5D20E28 (1)
Weight, g/mol:	462.193691
ΔH_f, kcal/mol:	-196.82
Dipole, Da:	11.31
IP(EA), eV:	-8.15(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,2,5-trimethyl-4-[(3S)-3-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]sulfonylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=NC(=CS3)C)C)C)C

DOS

IR

Vibrations