Geometry & MOs

Info

ID:	78785
PubChem CID:	49720336
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	442.066653
ΔH_f, kcal/mol:	-121.25
Dipole, Da:	1.26
IP(EA), eV:	-8.74(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-1,3-benzothiazol-2-yl)-4-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]butanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(CN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4NC3=O)C=C1

DOS

IR

Vibrations