Geometry & MOs

Info

ID:	426953
PubChem CID:	135154694
Reduced:	PO5F6N7C25H32 (1)
Stoich.:	AB5C6D7E25F32 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	-522.56
Dipole, Da:	5.25
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)N[P@@](=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)N[C@H](C3=CC=C(C=C3)OC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations