Geometry & MOs

Info

ID:	298789
PubChem CID:	117656846
Reduced:	N5O16C44H81 (1)
Stoich.:	A5B16C44D81 (1)
Weight, g/mol:	372.109489
ΔH_f, kcal/mol:	-781.52
Dipole, Da:	3.38
IP(EA), eV:	-9.9(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-3,3,3-trifluoro-N,N-dimethylpropanimidamide

Drug info:

PubChemData

Smile

CCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCC(=O)O

DOS

IR

Vibrations