Geometry & MOs

Info

ID:	131734
PubChem CID:	51255172
Reduced:	OF3N3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-159.59
Dipole, Da:	5.81
IP(EA), eV:	-9.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3,4-dihydro-2H-thiochromen-4-ylcarbamoyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C2C=C(C=CC2=N1)C(=O)NCC(F)(F)F)C

DOS

IR

Vibrations