Geometry & MOs

Info

ID:	447657
PubChem CID:	135284503
Reduced:	ClOSN4C22H27 (1)
Stoich.:	ABCD4E22F27 (1)
Weight, g/mol:	285.194008
ΔH_f, kcal/mol:	4.36
Dipole, Da:	4.8
IP(EA), eV:	-8.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-4-(2-methylprop-2-enyl)-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC2=NC=CC(=C2)C3=CC(=C(C=C3)OCC(C)(CC(C)C)N)Cl

DOS

IR

Vibrations