Geometry & MOs

Info

ID:	63744
PubChem CID:	26759077
Reduced:	NO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	378.088557
ΔH_f, kcal/mol:	-202.32
Dipole, Da:	6.66
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations