Geometry & MOs

Info

ID:	357461
PubChem CID:	127294094
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-167.89
Dipole, Da:	11.25
IP(EA), eV:	-8.89(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CN(CC1CCCCO1)C(=O)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations