Geometry & MOs

Info

ID:	35435
PubChem CID:	7979864
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	380.1139
ΔH_f, kcal/mol:	-143.65
Dipole, Da:	7.18
IP(EA), eV:	-8.75(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations