Geometry & MOs

Info

ID:	166527
PubChem CID:	74703870
Reduced:	SN4O4C27H35 (1)
Stoich.:	AB4C4D27E35 (1)
Weight, g/mol:	510.230077
ΔH_f, kcal/mol:	-89.68
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.185509
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-methoxy-2-oxo-3H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(3-morpholin-4-ylpropyl)thiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2C=C3C=C(C=CC3=NC2=O)OC)C(=S)NCCC[NH+]4CCOCC4

DOS

IR

Vibrations