Geometry & MOs

Info

ID:	369379
PubChem CID:	127332929
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	6.34
IP(EA), eV:	-9.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCCC2)C(=O)NC3CS(=O)(=O)C4=CC=CC=C34

DOS

IR

Vibrations