Geometry & MOs

Info

ID:	431226
PubChem CID:	135171296
Reduced:	ON5C25H33 (1)
Stoich.:	AB5C25D33 (1)
Weight, g/mol:	473.165048
ΔH_f, kcal/mol:	7.42
Dipole, Da:	4.62
IP(EA), eV:	-8.17(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-oxo-3-[4-(phosphanylmethylamino)thiophen-3-yl]propanoate

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=C(C=C2)NC)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations