Geometry & MOs

Info

ID:	231088
PubChem CID:	87572604
Reduced:	ClO3N10C25H25 (1)
Stoich.:	AB3C10D25E25 (1)
Weight, g/mol:	407.187878
ΔH_f, kcal/mol:	42.21
Dipole, Da:	12.06
IP(EA), eV:	-9.39(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzyl-1,4-diazepan-1-yl)-2-[piperidin-2-yl(sulfonyl)methoxy]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC2=CC(=NN3C2=NC=C3C(=O)NC4=CC(=NC=C4)Cl)NC5CCC(CC5)NC(=O)CC#N

DOS

IR

Vibrations