Geometry & MOs

Info

ID:	150859
PubChem CID:	53790556
Reduced:	S4O5N7C17H17 (1)
Stoich.:	A4B5C7D17E17 (1)
Weight, g/mol:	305.087492
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	6.64
IP(EA), eV:	-8.84(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-carbamoyloxy-2-[2-(trifluoromethyl)phenyl]propyl] acetate

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SCSC2=C(N3[C@@H](CC2)[C@@H](C3=O)NC(=O)C=NOC4=CSC(=N4)N)C(=O)O

DOS

IR

Vibrations