Geometry & MOs

Info

ID:	154230
PubChem CID:	56313636
Reduced:	FON2C25H27 (1)
Stoich.:	ABC2D25E27 (1)
Weight, g/mol:	418.129732
ΔH_f, kcal/mol:	-37.76
Dipole, Da:	3.72
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4F

DOS

IR

Vibrations