Geometry & MOs

Info

ID:	33832
PubChem CID:	7888351
Reduced:	O2S2N3H19C21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	12.1
Dipole, Da:	2.19
IP(EA), eV:	-8.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)S[C@@H](C)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations