Geometry & MOs

Info

ID:	152265
PubChem CID:	56311160
Reduced:	FSO3N4C21H27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	423.128046
ΔH_f, kcal/mol:	-120.98
Dipole, Da:	7.66
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichlorophenyl)-3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations