Geometry & MOs

Info

ID:	324300
PubChem CID:	126677378
Reduced:	SN2O3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	378.176642
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	2.46
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,8S)-2-hydroxy-4-(3,3,3-trifluoropropanoyl)-4-azatricyclo[4.3.1.03,8]decan-9-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)CSC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)OC

DOS

IR

Vibrations