Geometry & MOs

Info

ID:	326120
PubChem CID:	126686593
Reduced:	SN3O5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	471.238273
ΔH_f, kcal/mol:	-195.22
Dipole, Da:	5.66
IP(EA), eV:	-9.53(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazin-2-yl N-[4-[1H-benzimidazol-2-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]butyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations