Geometry & MOs

Info

ID:	184664
PubChem CID:	77190042
Reduced:	SO2N5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	604.337319
ΔH_f, kcal/mol:	32.05
Dipole, Da:	3.66
IP(EA), eV:	-9.13(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(4-acetylpiperazin-1-yl)phenyl]-4-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)NC(=O)C2=CC3C(NNC3S2)NC(=O)C4=CC=NC=C4

DOS

IR

Vibrations