Geometry & MOs

Info

ID:	425916
PubChem CID:	135131316
Reduced:	N6H72C79 (1)
Stoich.:	A6B72C79 (1)
Weight, g/mol:	351.1293
ΔH_f, kcal/mol:	243.34
Dipole, Da:	1.39
IP(EA), eV:	-7.97(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(benzylamino)-3-(4-thiophen-2-ylphenyl)propanoate

Drug info:

Smile

CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C4=CC(=CC(=C4N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=C(C=C(C=C9)C(C)(C)C)C1=C8C=CC(=C1)C(C)(C)C)C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations