Geometry & MOs

Info

ID:	415229
PubChem CID:	135088221
Reduced:	O4N7C35H41 (1)
Stoich.:	A4B7C35D41 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	4.36
IP(EA), eV:	-8.38(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5=C6C(=CC=C5)N=CC=N6)C(C)C

DOS

IR

Vibrations