Geometry & MOs

Info

ID:	196580
PubChem CID:	78850112
Reduced:	FO2S2N3H18C20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	411.232205
ΔH_f, kcal/mol:	-33.66
Dipole, Da:	5.56
IP(EA), eV:	-9.19(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CSC(=N2)C3=CSC=C3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations