Geometry & MOs

Info

ID:	26991
PubChem CID:	809494
Reduced:	N3C22H29 (1)
Stoich.:	A3B22C29 (1)
Weight, g/mol:	349.171165
ΔH_f, kcal/mol:	37.78
Dipole, Da:	5.16
IP(EA), eV:	-8.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl (2R,4S)-3-(3-methylbutanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N3C=CC=CC3=N2)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations