Geometry & MOs

Info

ID:	63745
PubChem CID:	26759079
Reduced:	SN2O6C17H18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	378.088557
ΔH_f, kcal/mol:	-190.39
Dipole, Da:	4.8
IP(EA), eV:	-8.82(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations