Geometry & MOs

Info

ID:	154347
PubChem CID:	56313763
Reduced:	OSF2N2C22H22 (1)
Stoich.:	ABC2D2E22F22 (1)
Weight, g/mol:	446.161032
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	4.02
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=C2)F)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations