Geometry & MOs

Info

ID:	425670
PubChem CID:	135127297
Reduced:	N2O3F4C33H36 (1)
Stoich.:	A2B3C4D33E36 (1)
Weight, g/mol:	827.722288
ΔH_f, kcal/mol:	-301.82
Dipole, Da:	3.95
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-(3-methoxy-3-methylbutoxy)-2-methylpropyl] N-(2-octadecylsulfanylhenicosyl)carbamothioate

Drug info:

PubChemData

Smile

CC1CC2=CC(=NC=C2[C@H]1C(=O)OC(C)(C)C)OCC3=CC4=C(C=C3F)[C@H](C[C@@H]4C5=CC=CC=C5C(F)(F)F)N(C)C

DOS

IR

Vibrations