Geometry & MOs

Info

ID:	344397
PubChem CID:	127267573
Reduced:	SO2N6C15H20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-11.61
Dipole, Da:	4.25
IP(EA), eV:	-9.34(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-2-morpholin-4-ylbenzamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCNC(=O)C2=CSC(=N2)C3=NC=NN3

DOS

IR

Vibrations