Geometry & MOs

Info

ID:	178135
PubChem CID:	76282523
Reduced:	FN6O7H39C41 (1)
Stoich.:	AB6C7D39E41 (1)
Weight, g/mol:	399.080826
ΔH_f, kcal/mol:	-185.51
Dipole, Da:	5.91
IP(EA), eV:	-8.86(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-tert-butylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(2-chlorophenyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)/C(=C/NC3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OCCCN6CCOCC6)OC)F)/C(=O)N(C2=O)CC7=CN=CC=C7

DOS

IR

Vibrations