Geometry & MOs

Info

ID:	426597
PubChem CID:	135151601
Reduced:	O2F3N7H24C27 (1)
Stoich.:	A2B3C7D24E27 (1)
Weight, g/mol:	398.170253
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	10.62
IP(EA), eV:	-9.13(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1H-imidazol-2-yl)-4-[2-(6-methoxy-2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=NC2=CC=CC=C2C=C1C3=CN=C(N3)C4CNCCN4C(=O)CN5C6=CC=CC=C6N=C5C(F)(F)F

DOS

IR

Vibrations