Geometry & MOs

Info

ID:	326123
PubChem CID:	126686603
Reduced:	SN2O7C16H22 (1)
Stoich.:	AB2C7D16E22 (1)
Weight, g/mol:	507.238273
ΔH_f, kcal/mol:	-289.16
Dipole, Da:	7.04
IP(EA), eV:	-9.51(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cinnolin-4-yl N-[3-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@H]([C@H]([C@@H]2[C@H](O1)SC(=N2)N3CCC3)CC(=O)O)CC(=O)O

DOS

IR

Vibrations