Geometry & MOs

Info

ID:	218557
PubChem CID:	85089617
Reduced:	ClNSO6C23H26 (1)
Stoich.:	ABCD6E23F26 (1)
Weight, g/mol:	480.17483
ΔH_f, kcal/mol:	-190.61
Dipole, Da:	5.83
IP(EA), eV:	-8.95(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,4-difluoro-5-methylphenyl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

COC1CC23C(C(CCN2C(=O)C=C3C=C1)(C(S(=O)C4=CC=CC=C4)Cl)O)CC(=O)OC

DOS

IR

Vibrations