Geometry & MOs

Info

ID:	150380
PubChem CID:	53790069
Reduced:	N3S3O6C18H29 (1)
Stoich.:	A3B3C6D18E29 (1)
Weight, g/mol:	483.165743
ΔH_f, kcal/mol:	-192.95
Dipole, Da:	1.94
IP(EA), eV:	-8.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[cyano-(3-phenoxyphenyl)methyl] 3,3-dimethyl-2-[4-(trifluoromethoxy)phenyl]butanoate

Drug info:

PubChemData

Smile

CCC(COC(=O)C(=C)CSN)(COC(=O)C(=C)CSN)COC(=O)C(=C)CSN

DOS

IR

Vibrations