Geometry & MOs

Info

ID:	36487
PubChem CID:	8007445
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	366.080491
ΔH_f, kcal/mol:	-50.53
Dipole, Da:	2.38
IP(EA), eV:	-8.42(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C[C@H](CN2C=C(C3=CC=CC=C32)/C=N\O)O

DOS

IR

Vibrations