Geometry & MOs

Info

ID:	223886
PubChem CID:	85335704
Reduced:	SO5N9C30H47 (1)
Stoich.:	AB5C9D30E47 (1)
Weight, g/mol:	646.285008
ΔH_f, kcal/mol:	-198.18
Dipole, Da:	5.55
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

C1CC(OC1CO)N2C3=NC=NC(=C3C=N2)NCCCCNC(=O)CCCCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5

DOS

IR

Vibrations