Geometry & MOs

Info

ID:	72520
PubChem CID:	48416264
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-113.81
Dipole, Da:	1.39
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C(C)N2C=NC3=CC=CC=C32)C(=O)OC

DOS

IR

Vibrations