Geometry & MOs

Info

ID:	72436
PubChem CID:	48416174
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-77.25
Dipole, Da:	3.28
IP(EA), eV:	-9.07(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CN=C(C=C2)N3C=CC=N3)C(=O)OC

DOS

IR

Vibrations