Geometry & MOs

Info

ID:	64653
PubChem CID:	29203775
Reduced:	SN3O3C27H27 (1)
Stoich.:	AB3C3D27E27 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-57.77
Dipole, Da:	4.1
IP(EA), eV:	-8.82(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations