Geometry & MOs

Info

ID:	123435
PubChem CID:	50847270
Reduced:	OSF3N4H17C19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	384.142011
ΔH_f, kcal/mol:	-111.45
Dipole, Da:	2.48
IP(EA), eV:	-9.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-yl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N=CN=C2S1)N3CCCCC3)C(=O)NC4=CC(=C(C(=C4)F)F)F

DOS

IR

Vibrations