Geometry & MOs

Info

ID:	425712
PubChem CID:	135127514
Reduced:	F3O3N4C30H33 (1)
Stoich.:	A3B3C4D30E33 (1)
Weight, g/mol:	203.134385
ΔH_f, kcal/mol:	-232.14
Dipole, Da:	7.24
IP(EA), eV:	-8.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2,3-dimethylbutan-2-yl) N-propan-2-ylcarbamothioate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(F)(F)F)C2=C(C3=C(C=C2)N(N=C3)C(CC(C)C)C4=CN=C(C=C4)C(=O)NCCC(O)O)C

DOS

IR

Vibrations