Geometry & MOs

Info

ID:	302795
PubChem CID:	124395711
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	464.04054
ΔH_f, kcal/mol:	-93.16
Dipole, Da:	3.9
IP(EA), eV:	-8.45(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5R)-5-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)N1C=C(C2=CC=CC=C21)/C=C/3\C(=O)N(C(=O)S3)CC(=O)N4CCCC4

DOS

IR

Vibrations