Geometry & MOs

Info

ID:	244302
PubChem CID:	99319755
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	439.113667
ΔH_f, kcal/mol:	24.05
Dipole, Da:	3.72
IP(EA), eV:	-9.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4CC4

DOS

IR

Vibrations