Geometry & MOs

Info

ID:	237274
PubChem CID:	92718073
Reduced:	SN2O6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	429.178752
ΔH_f, kcal/mol:	-230.93
Dipole, Da:	8.34
IP(EA), eV:	-8.35(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O

DOS

IR

Vibrations