Geometry & MOs

Info

ID:	236853
PubChem CID:	92715032
Reduced:	S2N4O5C24H30 (1)
Stoich.:	A2B4C5D24E30 (1)
Weight, g/mol:	514.188606
ΔH_f, kcal/mol:	-178.0
Dipole, Da:	6.21
IP(EA), eV:	-8.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,2,5-trimethyl-4-[(3R)-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=NC4=C(S3)C=C(C=C4)C)C)C)C

DOS

IR

Vibrations