Geometry & MOs

Info

ID:	72370
PubChem CID:	48416097
Reduced:	SN2O5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-202.8
Dipole, Da:	1.09
IP(EA), eV:	-8.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCN2C(=CSC2=O)C)C(=O)OC

DOS

IR

Vibrations