Geometry & MOs

Info

ID:	193018
PubChem CID:	78337554
Reduced:	FN4O4H17C22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	475.171834
ΔH_f, kcal/mol:	-75.64
Dipole, Da:	6.11
IP(EA), eV:	-9.28(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(N-phenylanilino)phenyl]ethenyl]-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NNC(=O)C1C(=C2C(=NNC2=O)C)C3=CC(=CC=C3)OC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations