Geometry & MOs

Info

ID:	364021
PubChem CID:	127313692
Reduced:	FSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	376.135782
ΔH_f, kcal/mol:	-63.81
Dipole, Da:	4.94
IP(EA), eV:	-9.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(1,3-benzothiazol-2-yl)cyclohex-3-en-1-yl]-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)C(=O)C3CSC(C(=O)N3)CC4=CC=CC=C4F

DOS

IR

Vibrations