Geometry & MOs

Info

ID:	150611
PubChem CID:	53790304
Reduced:	S2O7N9H21C24 (1)
Stoich.:	A2B7C9D21E24 (1)
Weight, g/mol:	416.134068
ΔH_f, kcal/mol:	-95.94
Dipole, Da:	7.67
IP(EA), eV:	-8.81(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-amino-1,3-thiazol-4-yl)thiophen-3-yl]methyl]-3-[3-[(dimethylamino)methyl]phenoxy]propanamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)C(=S)C2=C(N3[C@H](C(C3=O)NC(=O)C(C4=CC=C(C=C4)CO)NC(=O)C5=CN=CNC5=O)SC2)C(=O)O

DOS

IR

Vibrations