Geometry & MOs

Info

ID:	32449
PubChem CID:	7836202
Reduced:	SN3O5H17C19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	4.14
IP(EA), eV:	-9.33(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations