Geometry & MOs

Info

ID:	342608
PubChem CID:	127265768
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	392.10994
ΔH_f, kcal/mol:	-114.69
Dipole, Da:	8.22
IP(EA), eV:	-9.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C3=O)S(=O)(=O)N

DOS

IR

Vibrations