Geometry & MOs

Info

ID:	214253
PubChem CID:	84974790
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-185.31
Dipole, Da:	4.67
IP(EA), eV:	-9.55(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C=CC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations