Geometry & MOs

Info

ID:	151947
PubChem CID:	56310780
Reduced:	FO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	476.22574
ΔH_f, kcal/mol:	-134.11
Dipole, Da:	2.69
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F)C4=CC=C(C=C4)OC

DOS

IR

Vibrations