Geometry & MOs

Info

ID:	143414
PubChem CID:	53205615
Reduced:	ClO2S2N5C22H26 (1)
Stoich.:	AB2C2D5E22F26 (1)
Weight, g/mol:	493.10091
ΔH_f, kcal/mol:	-47.25
Dipole, Da:	3.82
IP(EA), eV:	-8.67(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[[2-(diethylamino)-7-oxo-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=C(N=C(S2)N3CCCCC3)N=C1SCC(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations