Geometry & MOs

Info

ID:	81205
PubChem CID:	49854462
Reduced:	O2S2N5C19H23 (1)
Stoich.:	A2B2C5D19E23 (1)
Weight, g/mol:	471.205259
ΔH_f, kcal/mol:	-19.86
Dipole, Da:	0.71
IP(EA), eV:	-8.38(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-(acetamidomethyl)-1-N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(S1)CCC3=C2SC(=N3)NC(=O)N4CC[C@H]5[C@@]4(C5)C(=O)N

DOS

IR

Vibrations