Geometry & MOs

Info

ID:	33864
PubChem CID:	7888491
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	344.06532
ΔH_f, kcal/mol:	-152.5
Dipole, Da:	3.97
IP(EA), eV:	-9.07(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations