Geometry & MOs

Info

ID:	154459
PubChem CID:	56313900
Reduced:	FO3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	410.157661
ΔH_f, kcal/mol:	-174.52
Dipole, Da:	1.63
IP(EA), eV:	-8.68(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations