Geometry & MOs

Info

ID:	194239
PubChem CID:	78502764
Reduced:	ClFSO2N3H17C19 (1)
Stoich.:	ABCD2E3F17G19 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-47.9
Dipole, Da:	5.34
IP(EA), eV:	-9.35(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC(=O)C(C)SC2=NN=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations