Geometry & MOs

Info

ID:	424930
PubChem CID:	135124480
Reduced:	ClFSN3O4C26H27 (1)
Stoich.:	ABCD3E4F26G27 (1)
Weight, g/mol:	354.11371
ΔH_f, kcal/mol:	-105.39
Dipole, Da:	3.9
IP(EA), eV:	-8.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-3,3-dimethyl-4-(4-methylsulfonylphenyl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@@H](C3=CC(=C(S3)Cl)COCC4=CC=C(C=C4)OC)C(C)(C)C(=O)O)F)N=N1

DOS

IR

Vibrations