Geometry & MOs

Info

ID:	144257
PubChem CID:	53338912
Reduced:	Cl2S2N4O4C21H24 (1)
Stoich.:	A2B2C4D4E21F24 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-121.06
Dipole, Da:	7.16
IP(EA), eV:	-9.24(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[(R)-hydroxy(phenyl)methyl]morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)NC(=O)CN2C(=O)/C(=C/C3=C(C=CC=C3Cl)Cl)/SC2=S

DOS

IR

Vibrations