Geometry & MOs

Info

ID:	348008
PubChem CID:	127273070
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	383.162725
ΔH_f, kcal/mol:	-65.87
Dipole, Da:	6.27
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)CC3=NN=C(O3)C(C)C

DOS

IR

Vibrations