Geometry & MOs

Info

ID:	32954
PubChem CID:	7849674
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	421.119523
ΔH_f, kcal/mol:	-70.32
Dipole, Da:	2.51
IP(EA), eV:	-9.67(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[(2R)-2-(2-methyl-5-methylsulfonylbenzoyl)oxypropanoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)N(C)CCC#N

DOS

IR

Vibrations