Geometry & MOs

Info

ID:	236854
PubChem CID:	92715044
Reduced:	SN4O6C25H30 (1)
Stoich.:	AB4C6D25E30 (1)
Weight, g/mol:	514.188606
ΔH_f, kcal/mol:	-175.62
Dipole, Da:	9.65
IP(EA), eV:	-8.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,2,5-trimethyl-4-[(3S)-3-[[3-(1,2-oxazol-5-yl)phenyl]carbamoyl]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=CC=CC(=C3)C4=CC=NO4)C)C)C

DOS

IR

Vibrations