Geometry & MOs

Info

ID:	244555
PubChem CID:	99364962
Reduced:	FO2N4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	368.074325
ΔH_f, kcal/mol:	6.31
Dipole, Da:	5.23
IP(EA), eV:	-9.01(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)NC3=C(C=CC(=C3)N4C=CC=C4)F

DOS

IR

Vibrations