Geometry & MOs

Info

ID:	170020
PubChem CID:	75183325
Reduced:	SO5C12H14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	701.238304
ΔH_f, kcal/mol:	-198.13
Dipole, Da:	7.04
IP(EA), eV:	-9.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,5-dichloro-4-formyloxyphenyl)-1-[4-(oxan-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC=CC1=CC2=C(S1)C(C(CC2(C(=O)O)O)O)O

DOS

IR

Vibrations