Geometry & MOs

Info

ID:	419309
PubChem CID:	135107963
Reduced:	N6O7C38H48 (1)
Stoich.:	A6B7C38D48 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-240.92
Dipole, Da:	4.84
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-4-yl)-5,8-dimethoxy-4-methylquinolin-2-amine

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C3=CC(=NC=C3)OC)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations