Geometry & MOs

Info

ID:	152507
PubChem CID:	56311450
Reduced:	SN4O5C23H30 (1)
Stoich.:	AB4C5D23E30 (1)
Weight, g/mol:	473.206304
ΔH_f, kcal/mol:	-165.8
Dipole, Da:	5.42
IP(EA), eV:	-8.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations