Geometry & MOs

Info

ID:	369588
PubChem CID:	127334834
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	389.24269
ΔH_f, kcal/mol:	53.61
Dipole, Da:	6.42
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CSC(=N2)C3CC3)CC4=NOC(=N4)C5CC5

DOS

IR

Vibrations