Geometry & MOs

Info

ID:	423264
PubChem CID:	135119209
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	4.1
IP(EA), eV:	-8.38(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,6-dimethylquinolin-2-yl)sulfanyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)N3CCC4(C3)CCCN(C4)C(=O)CCC5=CN(CCO2)N=N5

DOS

IR

Vibrations