Geometry & MOs

Info

ID:	72422
PubChem CID:	48416160
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	3.91
IP(EA), eV:	-8.75(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=CS2)C(=O)OC

DOS

IR

Vibrations