Geometry & MOs

Info

ID:	298489
PubChem CID:	117650183
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	330.166163
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	2.02
IP(EA), eV:	-8.45(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-4,4-dideuterio-1-(4-hydroxyphenyl)-3-oxo-4-(trideuteriomethylsulfanyl)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(C)(C(=O)OC)NC

DOS

IR

Vibrations