Geometry & MOs

Info

ID:	175541
PubChem CID:	75919442
Reduced:	ClNO5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	389.16608
ΔH_f, kcal/mol:	-185.26
Dipole, Da:	6.62
IP(EA), eV:	-8.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations